5-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide

C11H11ClN2OS2 — CID 30715660

IUPAC5-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCC(C)c1csc(NC(=O)c2ccc(Cl)s2)n1
InChIInChI=1S/C11H11ClN2OS2/c1-6(2)7-5-16-11(13-7)14-10(15)8-3-4-9(12)17-8/h3-6H,1-2H3,(H,13,14,15)
InChIKeyBXDDMJQXLXFCHI-UHFFFAOYSA-N
MW286.81 g/mol
LogP4.23
Rot. Bonds3

About 5-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide

5-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 30715660) has the molecular formula C11H11ClN2OS2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 5-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID30715660
Molecular FormulaC11H11ClN2OS2
Molecular Weight286.81 g/mol
Exact Mass286.00
IUPAC Name5-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCC(C)c1csc(NC(=O)c2ccc(Cl)s2)n1
InChIInChI=1S/C11H11ClN2OS2/c1-6(2)7-5-16-11(13-7)14-10(15)8-3-4-9(12)17-8/h3-6H,1-2H3,(H,13,14,15)
InChIKeyBXDDMJQXLXFCHI-UHFFFAOYSA-N
XLogP4.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 60721950
5-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 103604372
2-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
CID 107025323
5-chloro-2-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 18129996
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 63048047
2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 55115833
3-amino-4-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 61479829
methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 58913263
N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46674310
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 30715657
2,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 37019052
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78973473

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 30715660) is 5-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide is CC(C)c1csc(NC(=O)c2ccc(Cl)s2)n1.
What is the InChIKey of 5-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is BXDDMJQXLXFCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS2/c1-6(2)7-5-16-11(13-7)14-10(15)8-3-4-9(12)17-8/h3-6H,1-2H3,(H,13,14,15).
What are the key properties of 5-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
5-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 286.81 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 30715660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).