3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazole;6-(2-methoxy-4-propan-2-ylanilino)cyclohexa-2,4-dien-1-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-6-propan-2-ylpyridine;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;4-propan-2-yl-2-thiophen-3-yl-1,3-thiazole

C121H140FN11O3S4 — CID 160977028

IUPAC3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazole;6-(2-methoxy-4-propan-2-ylanilino)cyclohexa-2,4-dien-1-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-6-propan-2-ylpyridine;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;4-propan-2-yl-2-thiophen-3-yl-1,3-thiazole
SMILESCC(C)c1ccc(Cn2ccccc2=O)cc1.CC(C)c1cccc(-c2ccccc2)n1.CC(C)c1csc(-c2cccc(F)c2)n1.CC(C)c1csc(-c2ccccc2)n1.CC(C)c1csc(-c2ccsc2)n1.COc1cc(C(C)C)ccc1NC1C=CC=CC1=O.Cc1cc(C)n(Cc2ccc(C(C)C)cc2)n1.Cc1ccc2cc(C(C)C)ccc2n1.Cc1cnn(Cc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C16H19NO2.C15H20N2.C15H17NO.C14H18N2.C14H15N.C13H15N.C12H12FNS.C12H13NS.C10H11NS2/c1-11(2)12-8-9-14(16(10-12)19-3)17-13-6-4-5-7-15(13)18;1-11(2)15-7-5-14(6-8-15)10-17-13(4)9-12(3)16-17;1-12(2)14-8-6-13(7-9-14)11-16-10-4-3-5-15(16)17;1-11(2)14-6-4-13(5-7-14)10-16-9-12(3)8-15-16;1-11(2)13-9-6-10-14(15-13)12-7-4-3-5-8-12;1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-8(2)11-7-15-12(14-11)9-4-3-5-10(13)6-9;1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10;1-7(2)9-6-13-10(11-9)8-3-4-12-5-8/h4-11,13,17H,1-3H3;5-9,11H,10H2,1-4H3;3-10,12H,11H2,1-2H3;4-9,11H,10H2,1-3H3;3-11H,1-2H3;4-9H,1-3H3;3-8H,1-2H3;3-9H,1-2H3;3-7H,1-2H3
InChIKeySYZSXWQBTNLDJJ-UHFFFAOYSA-N
MW1943.79 g/mol
LogP32.89
Rot. Bonds22

About 3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazole;6-(2-methoxy-4-propan-2-ylanilino)cyclohexa-2,4-dien-1-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-6-propan-2-ylpyridine;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;4-propan-2-yl-2-thiophen-3-yl-1,3-thiazole

3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazole;6-(2-methoxy-4-propan-2-ylanilino)cyclohexa-2,4-dien-1-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-6-propan-2-ylpyridine;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;4-propan-2-yl-2-thiophen-3-yl-1,3-thiazole (PubChem CID 160977028) has the molecular formula C121H140FN11O3S4 and a molecular weight of 1943.79 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazole;6-(2-methoxy-4-propan-2-ylanilino)cyclohexa-2,4-dien-1-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-6-propan-2-ylpyridine;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;4-propan-2-yl-2-thiophen-3-yl-1,3-thiazole.

Molecular Properties

Compound Name3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazole;6-(2-methoxy-4-propan-2-ylanilino)cyclohexa-2,4-dien-1-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-6-propan-2-ylpyridine;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;4-propan-2-yl-2-thiophen-3-yl-1,3-thiazole
PubChem CID160977028
Molecular FormulaC121H140FN11O3S4
Molecular Weight1943.79 g/mol
Exact Mass1942.00
IUPAC Name3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazole;6-(2-methoxy-4-propan-2-ylanilino)cyclohexa-2,4-dien-1-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-6-propan-2-ylpyridine;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;4-propan-2-yl-2-thiophen-3-yl-1,3-thiazole
SMILESCC(C)c1ccc(Cn2ccccc2=O)cc1.CC(C)c1cccc(-c2ccccc2)n1.CC(C)c1csc(-c2cccc(F)c2)n1.CC(C)c1csc(-c2ccccc2)n1.CC(C)c1csc(-c2ccsc2)n1.COc1cc(C(C)C)ccc1NC1C=CC=CC1=O.Cc1cc(C)n(Cc2ccc(C(C)C)cc2)n1.Cc1ccc2cc(C(C)C)ccc2n1.Cc1cnn(Cc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C16H19NO2.C15H20N2.C15H17NO.C14H18N2.C14H15N.C13H15N.C12H12FNS.C12H13NS.C10H11NS2/c1-11(2)12-8-9-14(16(10-12)19-3)17-13-6-4-5-7-15(13)18;1-11(2)15-7-5-14(6-8-15)10-17-13(4)9-12(3)16-17;1-12(2)14-8-6-13(7-9-14)11-16-10-4-3-5-15(16)17;1-11(2)14-6-4-13(5-7-14)10-16-9-12(3)8-15-16;1-11(2)13-9-6-10-14(15-13)12-7-4-3-5-8-12;1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-8(2)11-7-15-12(14-11)9-4-3-5-10(13)6-9;1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10;1-7(2)9-6-13-10(11-9)8-3-4-12-5-8/h4-11,13,17H,1-3H3;5-9,11H,10H2,1-4H3;3-10,12H,11H2,1-2H3;4-9,11H,10H2,1-3H3;3-11H,1-2H3;4-9H,1-3H3;3-8H,1-2H3;3-9H,1-2H3;3-7H,1-2H3
InChIKeySYZSXWQBTNLDJJ-UHFFFAOYSA-N
XLogP32.89
TPSA160.42 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001943.79
LogP ≤ 532.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazole;6-(2-methoxy-4-propan-2-ylanilino)cyclohexa-2,4-dien-1-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-6-propan-2-ylpyridine;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;4-propan-2-yl-2-thiophen-3-yl-1,3-thiazole with MolForge

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Related Compounds

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CID 160401725
3,5-Dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazole;methane;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]pyridin-2-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-6-propan-2-ylpyridine;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;4-propan-2-yl-2-thiophen-3-yl-1,3-thiazole
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3,5-Dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]pyridin-2-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;5-propan-2-yl-2-pyrrolidin-1-ylpyridine
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3,5-Dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazole;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]pyridin-2-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-6-propan-2-ylpyridine;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;4-propan-2-yl-2-thiophen-3-yl-1,3-thiazole
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3,5-Dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]pyridin-2-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;4-propan-2-yl-2-thiophen-3-yl-1,3-thiazole
CID 161673772

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazole;6-(2-methoxy-4-propan-2-ylanilino)cyclohexa-2,4-dien-1-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-6-propan-2-ylpyridine;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;4-propan-2-yl-2-thiophen-3-yl-1,3-thiazole?
The IUPAC name of 3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazole;6-(2-methoxy-4-propan-2-ylanilino)cyclohexa-2,4-dien-1-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-6-propan-2-ylpyridine;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;4-propan-2-yl-2-thiophen-3-yl-1,3-thiazole (CID 160977028) is 3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazole;6-(2-methoxy-4-propan-2-ylanilino)cyclohexa-2,4-dien-1-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-6-propan-2-ylpyridine;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;4-propan-2-yl-2-thiophen-3-yl-1,3-thiazole.
What is the SMILES notation for 3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazole;6-(2-methoxy-4-propan-2-ylanilino)cyclohexa-2,4-dien-1-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-6-propan-2-ylpyridine;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;4-propan-2-yl-2-thiophen-3-yl-1,3-thiazole?
The canonical SMILES for 3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazole;6-(2-methoxy-4-propan-2-ylanilino)cyclohexa-2,4-dien-1-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-6-propan-2-ylpyridine;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;4-propan-2-yl-2-thiophen-3-yl-1,3-thiazole is CC(C)c1ccc(Cn2ccccc2=O)cc1.CC(C)c1cccc(-c2ccccc2)n1.CC(C)c1csc(-c2cccc(F)c2)n1.CC(C)c1csc(-c2ccccc2)n1.CC(C)c1csc(-c2ccsc2)n1.COc1cc(C(C)C)ccc1NC1C=CC=CC1=O.Cc1cc(C)n(Cc2ccc(C(C)C)cc2)n1.Cc1ccc2cc(C(C)C)ccc2n1.Cc1cnn(Cc2ccc(C(C)C)cc2)c1.
What is the InChIKey of 3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazole;6-(2-methoxy-4-propan-2-ylanilino)cyclohexa-2,4-dien-1-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-6-propan-2-ylpyridine;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;4-propan-2-yl-2-thiophen-3-yl-1,3-thiazole?
The InChIKey is SYZSXWQBTNLDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2.C15H20N2.C15H17NO.C14H18N2.C14H15N.C13H15N.C12H12FNS.C12H13NS.C10H11NS2/c1-11(2)12-8-9-14(16(10-12)19-3)17-13-6-4-5-7-15(13)18;1-11(2)15-7-5-14(6-8-15)10-17-13(4)9-12(3)16-17;1-12(2)14-8-6-13(7-9-14)11-16-10-4-3-5-15(16)17;1-11(2)14-6-4-13(5-7-14)10-16-9-12(3)8-15-16;1-11(2)13-9-6-10-14(15-13)12-7-4-3-5-8-12;1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-8(2)11-7-15-12(14-11)9-4-3-5-10(13)6-9;1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10;1-7(2)9-6-13-10(11-9)8-3-4-12-5-8/h4-11,13,17H,1-3H3;5-9,11H,10H2,1-4H3;3-10,12H,11H2,1-2H3;4-9,11H,10H2,1-3H3;3-11H,1-2H3;4-9H,1-3H3;3-8H,1-2H3;3-9H,1-2H3;3-7H,1-2H3.
What are the key properties of 3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazole;6-(2-methoxy-4-propan-2-ylanilino)cyclohexa-2,4-dien-1-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-6-propan-2-ylpyridine;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;4-propan-2-yl-2-thiophen-3-yl-1,3-thiazole?
3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazole;6-(2-methoxy-4-propan-2-ylanilino)cyclohexa-2,4-dien-1-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-6-propan-2-ylpyridine;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;4-propan-2-yl-2-thiophen-3-yl-1,3-thiazole has a molecular weight of 1943.79 g/mol, XLogP of 32.89, 22 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazole;6-(2-methoxy-4-propan-2-ylanilino)cyclohexa-2,4-dien-1-one;4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;2-methyl-6-propan-2-ylquinoline;2-phenyl-6-propan-2-ylpyridine;2-phenyl-4-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one;4-propan-2-yl-2-thiophen-3-yl-1,3-thiazole is sourced from PubChem (CID 160977028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).