5-tert-butyl-4-methyl-2-propan-2-yl-1,3-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-(4-chlorophenyl)-5-propan-2-yl-1,3,4-thiadiazole;4-(3-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(2,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;4-(3,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazole;4-(4-fluorophenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole

C126H154Cl3F5N14S12 — CID 161359726

IUPAC5-tert-butyl-4-methyl-2-propan-2-yl-1,3-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-(4-chlorophenyl)-5-propan-2-yl-1,3,4-thiadiazole;4-(3-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(2,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;4-(3,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazole;4-(4-fluorophenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1csc(C(C)C)n1.CC(C)c1nc(-c2ccc(Cl)cc2)cs1.CC(C)c1nc(-c2ccc(F)c(F)c2)cs1.CC(C)c1nc(-c2ccc(F)cc2)cs1.CC(C)c1nc(-c2ccc(F)cc2F)cs1.CC(C)c1nc(-c2cccc(Cl)c2)cs1.CC(C)c1nc(C(C)(C)C)cs1.CC(C)c1nnc(-c2ccc(Cl)cc2)s1.CC(C)c1nnc(-c2ccccc2)s1.Cc1cnc(C(C)C)s1.Cc1csc(C(C)C)n1.Cc1nc(C(C)C)sc1C(C)(C)C
InChIInChI=1S/2C12H12ClNS.2C12H11F2NS.C12H12FNS.C11H11ClN2S.C11H12N2S.C11H19NS.C10H17NS.C9H15NS.2C7H11NS/c1-8(2)12-14-11(7-15-12)9-3-5-10(13)6-4-9;1-8(2)12-14-11(7-15-12)9-4-3-5-10(13)6-9;1-7(2)12-15-11(6-16-12)9-4-3-8(13)5-10(9)14;1-7(2)12-15-11(6-16-12)8-3-4-9(13)10(14)5-8;1-8(2)12-14-11(7-15-12)9-3-5-10(13)6-4-9;1-7(2)10-13-14-11(15-10)8-3-5-9(12)6-4-8;1-8(2)10-12-13-11(14-10)9-6-4-3-5-7-9;1-7(2)10-12-8(3)9(13-10)11(4,5)6;1-7(2)9-11-8(6-12-9)10(3,4)5;1-6(2)8-5-11-9(10-8)7(3)4;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7/h2*3-8H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;7H,1-6H3;6-7H,1-5H3;5-7H,1-4H3;2*4-5H,1-3H3
InChIKeyVPAAXLNUXOSASR-UHFFFAOYSA-N
MW2450.87 g/mol
LogP44.96
Rot. Bonds20

About 5-tert-butyl-4-methyl-2-propan-2-yl-1,3-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-(4-chlorophenyl)-5-propan-2-yl-1,3,4-thiadiazole;4-(3-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(2,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;4-(3,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazole;4-(4-fluorophenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole

5-tert-butyl-4-methyl-2-propan-2-yl-1,3-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-(4-chlorophenyl)-5-propan-2-yl-1,3,4-thiadiazole;4-(3-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(2,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;4-(3,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazole;4-(4-fluorophenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 161359726) has the molecular formula C126H154Cl3F5N14S12 and a molecular weight of 2450.87 g/mol. Its IUPAC name is 5-tert-butyl-4-methyl-2-propan-2-yl-1,3-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-(4-chlorophenyl)-5-propan-2-yl-1,3,4-thiadiazole;4-(3-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(2,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;4-(3,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazole;4-(4-fluorophenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name5-tert-butyl-4-methyl-2-propan-2-yl-1,3-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-(4-chlorophenyl)-5-propan-2-yl-1,3,4-thiadiazole;4-(3-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(2,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;4-(3,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazole;4-(4-fluorophenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole
PubChem CID161359726
Molecular FormulaC126H154Cl3F5N14S12
Molecular Weight2450.87 g/mol
Exact Mass2446.81
IUPAC Name5-tert-butyl-4-methyl-2-propan-2-yl-1,3-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-(4-chlorophenyl)-5-propan-2-yl-1,3,4-thiadiazole;4-(3-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(2,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;4-(3,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazole;4-(4-fluorophenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1csc(C(C)C)n1.CC(C)c1nc(-c2ccc(Cl)cc2)cs1.CC(C)c1nc(-c2ccc(F)c(F)c2)cs1.CC(C)c1nc(-c2ccc(F)cc2)cs1.CC(C)c1nc(-c2ccc(F)cc2F)cs1.CC(C)c1nc(-c2cccc(Cl)c2)cs1.CC(C)c1nc(C(C)(C)C)cs1.CC(C)c1nnc(-c2ccc(Cl)cc2)s1.CC(C)c1nnc(-c2ccccc2)s1.Cc1cnc(C(C)C)s1.Cc1csc(C(C)C)n1.Cc1nc(C(C)C)sc1C(C)(C)C
InChIInChI=1S/2C12H12ClNS.2C12H11F2NS.C12H12FNS.C11H11ClN2S.C11H12N2S.C11H19NS.C10H17NS.C9H15NS.2C7H11NS/c1-8(2)12-14-11(7-15-12)9-3-5-10(13)6-4-9;1-8(2)12-14-11(7-15-12)9-4-3-5-10(13)6-9;1-7(2)12-15-11(6-16-12)9-4-3-8(13)5-10(9)14;1-7(2)12-15-11(6-16-12)8-3-4-9(13)10(14)5-8;1-8(2)12-14-11(7-15-12)9-3-5-10(13)6-4-9;1-7(2)10-13-14-11(15-10)8-3-5-9(12)6-4-8;1-8(2)10-12-13-11(14-10)9-6-4-3-5-7-9;1-7(2)10-12-8(3)9(13-10)11(4,5)6;1-7(2)9-11-8(6-12-9)10(3,4)5;1-6(2)8-5-11-9(10-8)7(3)4;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7/h2*3-8H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;7H,1-6H3;6-7H,1-5H3;5-7H,1-4H3;2*4-5H,1-3H3
InChIKeyVPAAXLNUXOSASR-UHFFFAOYSA-N
XLogP44.96
TPSA180.46 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms160
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002450.87
LogP ≤ 544.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 5-tert-butyl-4-methyl-2-propan-2-yl-1,3-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-(4-chlorophenyl)-5-propan-2-yl-1,3,4-thiadiazole;4-(3-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(2,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;4-(3,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazole;4-(4-fluorophenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-methyl-2-propan-2-yl-1,3-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-(4-chlorophenyl)-5-propan-2-yl-1,3,4-thiadiazole;4-(3-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(2,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;4-(3,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazole;4-(4-fluorophenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 5-tert-butyl-4-methyl-2-propan-2-yl-1,3-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-(4-chlorophenyl)-5-propan-2-yl-1,3,4-thiadiazole;4-(3-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(2,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;4-(3,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazole;4-(4-fluorophenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole (CID 161359726) is 5-tert-butyl-4-methyl-2-propan-2-yl-1,3-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-(4-chlorophenyl)-5-propan-2-yl-1,3,4-thiadiazole;4-(3-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(2,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;4-(3,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazole;4-(4-fluorophenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 5-tert-butyl-4-methyl-2-propan-2-yl-1,3-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-(4-chlorophenyl)-5-propan-2-yl-1,3,4-thiadiazole;4-(3-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(2,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;4-(3,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazole;4-(4-fluorophenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 5-tert-butyl-4-methyl-2-propan-2-yl-1,3-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-(4-chlorophenyl)-5-propan-2-yl-1,3,4-thiadiazole;4-(3-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(2,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;4-(3,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazole;4-(4-fluorophenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole is CC(C)c1csc(C(C)C)n1.CC(C)c1nc(-c2ccc(Cl)cc2)cs1.CC(C)c1nc(-c2ccc(F)c(F)c2)cs1.CC(C)c1nc(-c2ccc(F)cc2)cs1.CC(C)c1nc(-c2ccc(F)cc2F)cs1.CC(C)c1nc(-c2cccc(Cl)c2)cs1.CC(C)c1nc(C(C)(C)C)cs1.CC(C)c1nnc(-c2ccc(Cl)cc2)s1.CC(C)c1nnc(-c2ccccc2)s1.Cc1cnc(C(C)C)s1.Cc1csc(C(C)C)n1.Cc1nc(C(C)C)sc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-methyl-2-propan-2-yl-1,3-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-(4-chlorophenyl)-5-propan-2-yl-1,3,4-thiadiazole;4-(3-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(2,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;4-(3,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazole;4-(4-fluorophenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole?
The InChIKey is VPAAXLNUXOSASR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12ClNS.2C12H11F2NS.C12H12FNS.C11H11ClN2S.C11H12N2S.C11H19NS.C10H17NS.C9H15NS.2C7H11NS/c1-8(2)12-14-11(7-15-12)9-3-5-10(13)6-4-9;1-8(2)12-14-11(7-15-12)9-4-3-5-10(13)6-9;1-7(2)12-15-11(6-16-12)9-4-3-8(13)5-10(9)14;1-7(2)12-15-11(6-16-12)8-3-4-9(13)10(14)5-8;1-8(2)12-14-11(7-15-12)9-3-5-10(13)6-4-9;1-7(2)10-13-14-11(15-10)8-3-5-9(12)6-4-8;1-8(2)10-12-13-11(14-10)9-6-4-3-5-7-9;1-7(2)10-12-8(3)9(13-10)11(4,5)6;1-7(2)9-11-8(6-12-9)10(3,4)5;1-6(2)8-5-11-9(10-8)7(3)4;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7/h2*3-8H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;7H,1-6H3;6-7H,1-5H3;5-7H,1-4H3;2*4-5H,1-3H3.
What are the key properties of 5-tert-butyl-4-methyl-2-propan-2-yl-1,3-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-(4-chlorophenyl)-5-propan-2-yl-1,3,4-thiadiazole;4-(3-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(2,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;4-(3,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazole;4-(4-fluorophenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole?
5-tert-butyl-4-methyl-2-propan-2-yl-1,3-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-(4-chlorophenyl)-5-propan-2-yl-1,3,4-thiadiazole;4-(3-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(2,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;4-(3,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazole;4-(4-fluorophenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 2450.87 g/mol, XLogP of 44.96, 20 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-methyl-2-propan-2-yl-1,3-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;2-(4-chlorophenyl)-5-propan-2-yl-1,3,4-thiadiazole;4-(3-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole;4-(2,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;4-(3,4-difluorophenyl)-2-propan-2-yl-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazole;4-(4-fluorophenyl)-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 161359726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).