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

C11H12N2OS2 — CID 17190991

IUPAC5-propan-2-yl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2nccs2)cs1
InChIInChI=1S/C11H12N2OS2/c1-7(2)9-5-8(6-16-9)10(14)13-11-12-3-4-15-11/h3-7H,1-2H3,(H,12,13,14)
InChIKeyOBWXFFYSUMMZBI-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.58
Rot. Bonds3

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

5-propan-2-yl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide (PubChem CID 17190991) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-propan-2-yl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide
PubChem CID17190991
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Name5-propan-2-yl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2nccs2)cs1
InChIInChI=1S/C11H12N2OS2/c1-7(2)9-5-8(6-16-9)10(14)13-11-12-3-4-15-11/h3-7H,1-2H3,(H,12,13,14)
InChIKeyOBWXFFYSUMMZBI-UHFFFAOYSA-N
XLogP3.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 3354816
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
5-propan-2-yl-N-pyridin-3-ylthiophene-3-carboxamide
CID 25237024
1-methyl-5-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 110674204
3-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 17362164
4-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
CID 762358
3-[[(2R)-2-methylbutanoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 27262078
3,5-difluoro-4-(methylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 55160396
3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 9321514
N',N'-bis(2-methylpropyl)-N-(1,3-thiazol-2-yl)oxamide
CID 47263950
2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 60564390
3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 16771043

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide?
The IUPAC name of 5-propan-2-yl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide (CID 17190991) is 5-propan-2-yl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide is CC(C)c1cc(C(=O)Nc2nccs2)cs1.
What is the InChIKey of 5-propan-2-yl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide?
The InChIKey is OBWXFFYSUMMZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-7(2)9-5-8(6-16-9)10(14)13-11-12-3-4-15-11/h3-7H,1-2H3,(H,12,13,14).
What are the key properties of 5-propan-2-yl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide?
5-propan-2-yl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 17190991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).