N-(4-acetyl-1,3-thiazol-2-yl)-5-ethylthiophene-2-carboxamide

C12H12N2O2S2 — CID 60716873

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2nc(C(C)=O)cs2)s1
InChIInChI=1S/C12H12N2O2S2/c1-3-8-4-5-10(18-8)11(16)14-12-13-9(6-17-12)7(2)15/h4-6H,3H2,1-2H3,(H,13,14,16)
InChIKeyBXZLODMQSNQIDK-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.22
Rot. Bonds4

About N-(4-acetyl-1,3-thiazol-2-yl)-5-ethylthiophene-2-carboxamide

N-(4-acetyl-1,3-thiazol-2-yl)-5-ethylthiophene-2-carboxamide (PubChem CID 60716873) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-5-ethylthiophene-2-carboxamide
PubChem CID60716873
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2nc(C(C)=O)cs2)s1
InChIInChI=1S/C12H12N2O2S2/c1-3-8-4-5-10(18-8)11(16)14-12-13-9(6-17-12)7(2)15/h4-6H,3H2,1-2H3,(H,13,14,16)
InChIKeyBXZLODMQSNQIDK-UHFFFAOYSA-N
XLogP3.22
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
CID 47350440
N-(4-acetyl-1,3-thiazol-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80619701
N-(4-acetyl-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 112723705
5-bromo-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 77046617
N-(4-acetyl-1,3-thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121131
N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 51248183
ethyl 2-[(5-ethylthiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1244006
N-(4-acetyl-1,3-thiazol-2-yl)decanamide
CID 60729978
N-(4-acetyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
CID 24555772
4-(acetamidomethyl)-N-(4-acetyl-1,3-thiazol-2-yl)benzamide
CID 43033822
5-ethyl-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031120
5-ethyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 17217746

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-5-ethylthiophene-2-carboxamide (CID 60716873) is N-(4-acetyl-1,3-thiazol-2-yl)-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)Nc2nc(C(C)=O)cs2)s1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-5-ethylthiophene-2-carboxamide?
The InChIKey is BXZLODMQSNQIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c1-3-8-4-5-10(18-8)11(16)14-12-13-9(6-17-12)7(2)15/h4-6H,3H2,1-2H3,(H,13,14,16).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-5-ethylthiophene-2-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-5-ethylthiophene-2-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 60716873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).