2-N,5-N-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide

C32H32N4O2S3 — CID 4295617

IUPAC2-N,5-N-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
SMILESCC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc(C(=O)Nc4nc(-c5ccc(C(C)(C)C)cc5)cs4)s3)n2)cc1
InChIInChI=1S/C32H32N4O2S3/c1-31(2,3)21-11-7-19(8-12-21)23-17-39-29(33-23)35-27(37)25-15-16-26(41-25)28(38)36-30-34-24(18-40-30)20-9-13-22(14-10-20)32(4,5)6/h7-18H,1-6H3,(H,33,35,37)(H,34,36,38)
InChIKeyZECMYAKONOTTIB-UHFFFAOYSA-N
MW600.84 g/mol
LogP9.09
Rot. Bonds6

About 2-N,5-N-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide

2-N,5-N-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide (PubChem CID 4295617) has the molecular formula C32H32N4O2S3 and a molecular weight of 600.84 g/mol. Its IUPAC name is 2-N,5-N-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
PubChem CID4295617
Molecular FormulaC32H32N4O2S3
Molecular Weight600.84 g/mol
Exact Mass600.17
IUPAC Name2-N,5-N-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
SMILESCC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc(C(=O)Nc4nc(-c5ccc(C(C)(C)C)cc5)cs4)s3)n2)cc1
InChIInChI=1S/C32H32N4O2S3/c1-31(2,3)21-11-7-19(8-12-21)23-17-39-29(33-23)35-27(37)25-15-16-26(41-25)28(38)36-30-34-24(18-40-30)20-9-13-22(14-10-20)32(4,5)6/h7-18H,1-6H3,(H,33,35,37)(H,34,36,38)
InChIKeyZECMYAKONOTTIB-UHFFFAOYSA-N
XLogP9.09
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.84
LogP ≤ 59.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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N,N'-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]hexanediamide
CID 3376652
2-N,5-N-bis[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 5121730
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-methoxyacetamide
CID 51185945
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CID 19173152
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 4232837
4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4034255
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide
CID 4098660
2-N,5-N-bis[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 5136321
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide
CID 4156836
N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-acetylthiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide (CID 4295617) is 2-N,5-N-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide is CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc(C(=O)Nc4nc(-c5ccc(C(C)(C)C)cc5)cs4)s3)n2)cc1.
What is the InChIKey of 2-N,5-N-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide?
The InChIKey is ZECMYAKONOTTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O2S3/c1-31(2,3)21-11-7-19(8-12-21)23-17-39-29(33-23)35-27(37)25-15-16-26(41-25)28(38)36-30-34-24(18-40-30)20-9-13-22(14-10-20)32(4,5)6/h7-18H,1-6H3,(H,33,35,37)(H,34,36,38).
What are the key properties of 2-N,5-N-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide?
2-N,5-N-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide has a molecular weight of 600.84 g/mol, XLogP of 9.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide is sourced from PubChem (CID 4295617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).