4-tert-butyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide

C18H17ClN2OS2 — CID 5002157

IUPAC4-tert-butyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1
InChIInChI=1S/C18H17ClN2OS2/c1-18(2,3)12-6-4-11(5-7-12)16(22)21-17-20-13(10-23-17)14-8-9-15(19)24-14/h4-10H,1-3H3,(H,20,21,22)
InChIKeyQEXHCECEVROCAB-UHFFFAOYSA-N
MW376.93 g/mol
LogP6.07
Rot. Bonds3

About 4-tert-butyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide

4-tert-butyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 5002157) has the molecular formula C18H17ClN2OS2 and a molecular weight of 376.93 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID5002157
Molecular FormulaC18H17ClN2OS2
Molecular Weight376.93 g/mol
Exact Mass376.05
IUPAC Name4-tert-butyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1
InChIInChI=1S/C18H17ClN2OS2/c1-18(2,3)12-6-4-11(5-7-12)16(22)21-17-20-13(10-23-17)14-8-9-15(19)24-14/h4-10H,1-3H3,(H,20,21,22)
InChIKeyQEXHCECEVROCAB-UHFFFAOYSA-N
XLogP6.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.93
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide
CID 7565311
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide
CID 4062415
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 2373735
3-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 2330663
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363664
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[cyclopropyl(methyl)sulfamoyl]benzamide
CID 41363909
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 4968210
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 4120073
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 43947289
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 8892333
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4224171
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
CID 17426537

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide (CID 5002157) is 4-tert-butyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is QEXHCECEVROCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2OS2/c1-18(2,3)12-6-4-11(5-7-12)16(22)21-17-20-13(10-23-17)14-8-9-15(19)24-14/h4-10H,1-3H3,(H,20,21,22).
What are the key properties of 4-tert-butyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide?
4-tert-butyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 376.93 g/mol, XLogP of 6.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 5002157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).