4-ethyl-5-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide

C16H15N3OS2 — CID 40676303

IUPAC4-ethyl-5-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCCc1cc(C(=O)Nc2nc(-c3cccnc3)cs2)sc1C
InChIInChI=1S/C16H15N3OS2/c1-3-11-7-14(22-10(11)2)15(20)19-16-18-13(9-21-16)12-5-4-6-17-8-12/h4-9H,3H2,1-2H3,(H,18,19,20)
InChIKeyIHQMEYJSFWBLKP-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.39
Rot. Bonds4

About 4-ethyl-5-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide

4-ethyl-5-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 40676303) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 4-ethyl-5-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID40676303
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC Name4-ethyl-5-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCCc1cc(C(=O)Nc2nc(-c3cccnc3)cs2)sc1C
InChIInChI=1S/C16H15N3OS2/c1-3-11-7-14(22-10(11)2)15(20)19-16-18-13(9-21-16)12-5-4-6-17-8-12/h4-9H,3H2,1-2H3,(H,18,19,20)
InChIKeyIHQMEYJSFWBLKP-UHFFFAOYSA-N
XLogP4.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-4-propylthiophene-2-carboxamide
CID 26893935
6-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18151055
2-hydroxy-3,4-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 78895805
4-ethylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 22581447
4-(diethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 4142843
2-(2,4-dimethylphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 18581453
2-(2-ethylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 2539487
4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 2463732
3,5-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 8892667
2-methyl-5-methylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 134018376
4-(diethylaminomethyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 43070031
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 90506101

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4-ethyl-5-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 40676303) is 4-ethyl-5-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-5-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-5-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide is CCc1cc(C(=O)Nc2nc(-c3cccnc3)cs2)sc1C.
What is the InChIKey of 4-ethyl-5-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is IHQMEYJSFWBLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS2/c1-3-11-7-14(22-10(11)2)15(20)19-16-18-13(9-21-16)12-5-4-6-17-8-12/h4-9H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 4-ethyl-5-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
4-ethyl-5-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 329.45 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 40676303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).