4-bromo-5-propan-2-yl-1,3-thiazole;bis(1-tert-butyl-2-methylimidazole);bis(4-tert-butyl-3-methyl-1,2-oxazole);bis(5-tert-butyl-4-methyl-1,3-oxazole);bis(5-tert-butyl-4-methyl-1,3-thiazole);bis((5-tert-butyl-1,3-thiazol-4-yl)methanol);4-chloro-5-propan-2-yl-1,3-thiazole;4-cyclopropyl-5-propan-2-yl-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethyl-5-propan-2-yl-1,3-thiazole;4-fluoro-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole

C131H208BrClFN19O6S11 — CID 158815734

IUPAC4-bromo-5-propan-2-yl-1,3-thiazole;bis(1-tert-butyl-2-methylimidazole);bis(4-tert-butyl-3-methyl-1,2-oxazole);bis(5-tert-butyl-4-methyl-1,3-oxazole);bis(5-tert-butyl-4-methyl-1,3-thiazole);bis((5-tert-butyl-1,3-thiazol-4-yl)methanol);4-chloro-5-propan-2-yl-1,3-thiazole;4-cyclopropyl-5-propan-2-yl-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethyl-5-propan-2-yl-1,3-thiazole;4-fluoro-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole
SMILESCC(C)(C)c1scnc1CO.CC(C)(C)c1scnc1CO.CC(C)c1ncsc1C(C)C.CC(C)c1scnc1Br.CC(C)c1scnc1C1CC1.CC(C)c1scnc1Cl.CC(C)c1scnc1F.CCc1ncsc1C(C)C.Cc1nccn1C(C)(C)C.Cc1nccn1C(C)(C)C.Cc1ncoc1C(C)(C)C.Cc1ncoc1C(C)(C)C.Cc1ncsc1C(C)(C)C.Cc1ncsc1C(C)(C)C.Cc1ncsc1C(C)C.Cc1nocc1C(C)(C)C.Cc1nocc1C(C)(C)C
InChIInChI=1S/C9H13NS.C9H15NS.2C8H14N2.2C8H13NOS.4C8H13NO.3C8H13NS.C7H11NS.C6H8BrNS.C6H8ClNS.C6H8FNS/c1-6(2)9-8(7-3-4-7)10-5-11-9;1-6(2)8-9(7(3)4)11-5-10-8;2*1-7-9-5-6-10(7)8(2,3)4;2*1-8(2,3)7-6(4-10)9-5-11-7;2*1-6-7(8(2,3)4)10-5-9-6;2*1-6-7(5-10-9-6)8(2,3)4;2*1-6-7(8(2,3)4)10-5-9-6;1-4-7-8(6(2)3)10-5-9-7;1-5(2)7-6(3)8-4-9-7;3*1-4(2)5-6(7)8-3-9-5/h5-7H,3-4H2,1-2H3;5-7H,1-4H3;2*5-6H,1-4H3;2*5,10H,4H2,1-3H3;6*5H,1-4H3;5-6H,4H2,1-3H3;4-5H,1-3H3;3*3-4H,1-2H3
InChIKeyIVFYPHGUPMKHMV-UHFFFAOYSA-N
MW2632.32 g/mol
LogP42.67
Rot. Bonds12

About 4-bromo-5-propan-2-yl-1,3-thiazole;bis(1-tert-butyl-2-methylimidazole);bis(4-tert-butyl-3-methyl-1,2-oxazole);bis(5-tert-butyl-4-methyl-1,3-oxazole);bis(5-tert-butyl-4-methyl-1,3-thiazole);bis((5-tert-butyl-1,3-thiazol-4-yl)methanol);4-chloro-5-propan-2-yl-1,3-thiazole;4-cyclopropyl-5-propan-2-yl-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethyl-5-propan-2-yl-1,3-thiazole;4-fluoro-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole

4-bromo-5-propan-2-yl-1,3-thiazole;bis(1-tert-butyl-2-methylimidazole);bis(4-tert-butyl-3-methyl-1,2-oxazole);bis(5-tert-butyl-4-methyl-1,3-oxazole);bis(5-tert-butyl-4-methyl-1,3-thiazole);bis((5-tert-butyl-1,3-thiazol-4-yl)methanol);4-chloro-5-propan-2-yl-1,3-thiazole;4-cyclopropyl-5-propan-2-yl-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethyl-5-propan-2-yl-1,3-thiazole;4-fluoro-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole (PubChem CID 158815734) has the molecular formula C131H208BrClFN19O6S11 and a molecular weight of 2632.32 g/mol. Its IUPAC name is 4-bromo-5-propan-2-yl-1,3-thiazole;bis(1-tert-butyl-2-methylimidazole);bis(4-tert-butyl-3-methyl-1,2-oxazole);bis(5-tert-butyl-4-methyl-1,3-oxazole);bis(5-tert-butyl-4-methyl-1,3-thiazole);bis((5-tert-butyl-1,3-thiazol-4-yl)methanol);4-chloro-5-propan-2-yl-1,3-thiazole;4-cyclopropyl-5-propan-2-yl-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethyl-5-propan-2-yl-1,3-thiazole;4-fluoro-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-5-propan-2-yl-1,3-thiazole;bis(1-tert-butyl-2-methylimidazole);bis(4-tert-butyl-3-methyl-1,2-oxazole);bis(5-tert-butyl-4-methyl-1,3-oxazole);bis(5-tert-butyl-4-methyl-1,3-thiazole);bis((5-tert-butyl-1,3-thiazol-4-yl)methanol);4-chloro-5-propan-2-yl-1,3-thiazole;4-cyclopropyl-5-propan-2-yl-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethyl-5-propan-2-yl-1,3-thiazole;4-fluoro-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole
PubChem CID158815734
Molecular FormulaC131H208BrClFN19O6S11
Molecular Weight2632.32 g/mol
Exact Mass2628.23
IUPAC Name4-bromo-5-propan-2-yl-1,3-thiazole;bis(1-tert-butyl-2-methylimidazole);bis(4-tert-butyl-3-methyl-1,2-oxazole);bis(5-tert-butyl-4-methyl-1,3-oxazole);bis(5-tert-butyl-4-methyl-1,3-thiazole);bis((5-tert-butyl-1,3-thiazol-4-yl)methanol);4-chloro-5-propan-2-yl-1,3-thiazole;4-cyclopropyl-5-propan-2-yl-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethyl-5-propan-2-yl-1,3-thiazole;4-fluoro-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole
SMILESCC(C)(C)c1scnc1CO.CC(C)(C)c1scnc1CO.CC(C)c1ncsc1C(C)C.CC(C)c1scnc1Br.CC(C)c1scnc1C1CC1.CC(C)c1scnc1Cl.CC(C)c1scnc1F.CCc1ncsc1C(C)C.Cc1nccn1C(C)(C)C.Cc1nccn1C(C)(C)C.Cc1ncoc1C(C)(C)C.Cc1ncoc1C(C)(C)C.Cc1ncsc1C(C)(C)C.Cc1ncsc1C(C)(C)C.Cc1ncsc1C(C)C.Cc1nocc1C(C)(C)C.Cc1nocc1C(C)(C)C
InChIInChI=1S/C9H13NS.C9H15NS.2C8H14N2.2C8H13NOS.4C8H13NO.3C8H13NS.C7H11NS.C6H8BrNS.C6H8ClNS.C6H8FNS/c1-6(2)9-8(7-3-4-7)10-5-11-9;1-6(2)8-9(7(3)4)11-5-10-8;2*1-7-9-5-6-10(7)8(2,3)4;2*1-8(2,3)7-6(4-10)9-5-11-7;2*1-6-7(8(2,3)4)10-5-9-6;2*1-6-7(5-10-9-6)8(2,3)4;2*1-6-7(8(2,3)4)10-5-9-6;1-4-7-8(6(2)3)10-5-9-7;1-5(2)7-6(3)8-4-9-7;3*1-4(2)5-6(7)8-3-9-5/h5-7H,3-4H2,1-2H3;5-7H,1-4H3;2*5-6H,1-4H3;2*5,10H,4H2,1-3H3;6*5H,1-4H3;5-6H,4H2,1-3H3;4-5H,1-3H3;3*3-4H,1-2H3
InChIKeyIVFYPHGUPMKHMV-UHFFFAOYSA-N
XLogP42.67
TPSA322.01 Ų
H-Bond Donors2
H-Bond Acceptors36
Rotatable Bonds12
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002632.32
LogP ≤ 542.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1036

Analyze 4-bromo-5-propan-2-yl-1,3-thiazole;bis(1-tert-butyl-2-methylimidazole);bis(4-tert-butyl-3-methyl-1,2-oxazole);bis(5-tert-butyl-4-methyl-1,3-oxazole);bis(5-tert-butyl-4-methyl-1,3-thiazole);bis((5-tert-butyl-1,3-thiazol-4-yl)methanol);4-chloro-5-propan-2-yl-1,3-thiazole;4-cyclopropyl-5-propan-2-yl-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethyl-5-propan-2-yl-1,3-thiazole;4-fluoro-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-propan-2-yl-1,3-thiazole;bis(1-tert-butyl-2-methylimidazole);bis(4-tert-butyl-3-methyl-1,2-oxazole);bis(5-tert-butyl-4-methyl-1,3-oxazole);bis(5-tert-butyl-4-methyl-1,3-thiazole);bis((5-tert-butyl-1,3-thiazol-4-yl)methanol);4-chloro-5-propan-2-yl-1,3-thiazole;4-cyclopropyl-5-propan-2-yl-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethyl-5-propan-2-yl-1,3-thiazole;4-fluoro-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-bromo-5-propan-2-yl-1,3-thiazole;bis(1-tert-butyl-2-methylimidazole);bis(4-tert-butyl-3-methyl-1,2-oxazole);bis(5-tert-butyl-4-methyl-1,3-oxazole);bis(5-tert-butyl-4-methyl-1,3-thiazole);bis((5-tert-butyl-1,3-thiazol-4-yl)methanol);4-chloro-5-propan-2-yl-1,3-thiazole;4-cyclopropyl-5-propan-2-yl-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethyl-5-propan-2-yl-1,3-thiazole;4-fluoro-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole (CID 158815734) is 4-bromo-5-propan-2-yl-1,3-thiazole;bis(1-tert-butyl-2-methylimidazole);bis(4-tert-butyl-3-methyl-1,2-oxazole);bis(5-tert-butyl-4-methyl-1,3-oxazole);bis(5-tert-butyl-4-methyl-1,3-thiazole);bis((5-tert-butyl-1,3-thiazol-4-yl)methanol);4-chloro-5-propan-2-yl-1,3-thiazole;4-cyclopropyl-5-propan-2-yl-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethyl-5-propan-2-yl-1,3-thiazole;4-fluoro-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-bromo-5-propan-2-yl-1,3-thiazole;bis(1-tert-butyl-2-methylimidazole);bis(4-tert-butyl-3-methyl-1,2-oxazole);bis(5-tert-butyl-4-methyl-1,3-oxazole);bis(5-tert-butyl-4-methyl-1,3-thiazole);bis((5-tert-butyl-1,3-thiazol-4-yl)methanol);4-chloro-5-propan-2-yl-1,3-thiazole;4-cyclopropyl-5-propan-2-yl-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethyl-5-propan-2-yl-1,3-thiazole;4-fluoro-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-bromo-5-propan-2-yl-1,3-thiazole;bis(1-tert-butyl-2-methylimidazole);bis(4-tert-butyl-3-methyl-1,2-oxazole);bis(5-tert-butyl-4-methyl-1,3-oxazole);bis(5-tert-butyl-4-methyl-1,3-thiazole);bis((5-tert-butyl-1,3-thiazol-4-yl)methanol);4-chloro-5-propan-2-yl-1,3-thiazole;4-cyclopropyl-5-propan-2-yl-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethyl-5-propan-2-yl-1,3-thiazole;4-fluoro-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole is CC(C)(C)c1scnc1CO.CC(C)(C)c1scnc1CO.CC(C)c1ncsc1C(C)C.CC(C)c1scnc1Br.CC(C)c1scnc1C1CC1.CC(C)c1scnc1Cl.CC(C)c1scnc1F.CCc1ncsc1C(C)C.Cc1nccn1C(C)(C)C.Cc1nccn1C(C)(C)C.Cc1ncoc1C(C)(C)C.Cc1ncoc1C(C)(C)C.Cc1ncsc1C(C)(C)C.Cc1ncsc1C(C)(C)C.Cc1ncsc1C(C)C.Cc1nocc1C(C)(C)C.Cc1nocc1C(C)(C)C.
What is the InChIKey of 4-bromo-5-propan-2-yl-1,3-thiazole;bis(1-tert-butyl-2-methylimidazole);bis(4-tert-butyl-3-methyl-1,2-oxazole);bis(5-tert-butyl-4-methyl-1,3-oxazole);bis(5-tert-butyl-4-methyl-1,3-thiazole);bis((5-tert-butyl-1,3-thiazol-4-yl)methanol);4-chloro-5-propan-2-yl-1,3-thiazole;4-cyclopropyl-5-propan-2-yl-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethyl-5-propan-2-yl-1,3-thiazole;4-fluoro-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole?
The InChIKey is IVFYPHGUPMKHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS.C9H15NS.2C8H14N2.2C8H13NOS.4C8H13NO.3C8H13NS.C7H11NS.C6H8BrNS.C6H8ClNS.C6H8FNS/c1-6(2)9-8(7-3-4-7)10-5-11-9;1-6(2)8-9(7(3)4)11-5-10-8;2*1-7-9-5-6-10(7)8(2,3)4;2*1-8(2,3)7-6(4-10)9-5-11-7;2*1-6-7(8(2,3)4)10-5-9-6;2*1-6-7(5-10-9-6)8(2,3)4;2*1-6-7(8(2,3)4)10-5-9-6;1-4-7-8(6(2)3)10-5-9-7;1-5(2)7-6(3)8-4-9-7;3*1-4(2)5-6(7)8-3-9-5/h5-7H,3-4H2,1-2H3;5-7H,1-4H3;2*5-6H,1-4H3;2*5,10H,4H2,1-3H3;6*5H,1-4H3;5-6H,4H2,1-3H3;4-5H,1-3H3;3*3-4H,1-2H3.
What are the key properties of 4-bromo-5-propan-2-yl-1,3-thiazole;bis(1-tert-butyl-2-methylimidazole);bis(4-tert-butyl-3-methyl-1,2-oxazole);bis(5-tert-butyl-4-methyl-1,3-oxazole);bis(5-tert-butyl-4-methyl-1,3-thiazole);bis((5-tert-butyl-1,3-thiazol-4-yl)methanol);4-chloro-5-propan-2-yl-1,3-thiazole;4-cyclopropyl-5-propan-2-yl-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethyl-5-propan-2-yl-1,3-thiazole;4-fluoro-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole?
4-bromo-5-propan-2-yl-1,3-thiazole;bis(1-tert-butyl-2-methylimidazole);bis(4-tert-butyl-3-methyl-1,2-oxazole);bis(5-tert-butyl-4-methyl-1,3-oxazole);bis(5-tert-butyl-4-methyl-1,3-thiazole);bis((5-tert-butyl-1,3-thiazol-4-yl)methanol);4-chloro-5-propan-2-yl-1,3-thiazole;4-cyclopropyl-5-propan-2-yl-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethyl-5-propan-2-yl-1,3-thiazole;4-fluoro-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole has a molecular weight of 2632.32 g/mol, XLogP of 42.67, 12 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-propan-2-yl-1,3-thiazole;bis(1-tert-butyl-2-methylimidazole);bis(4-tert-butyl-3-methyl-1,2-oxazole);bis(5-tert-butyl-4-methyl-1,3-oxazole);bis(5-tert-butyl-4-methyl-1,3-thiazole);bis((5-tert-butyl-1,3-thiazol-4-yl)methanol);4-chloro-5-propan-2-yl-1,3-thiazole;4-cyclopropyl-5-propan-2-yl-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethyl-5-propan-2-yl-1,3-thiazole;4-fluoro-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 158815734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).