N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]-3-methylsulfanylthiophene-2-carboxamide

C14H13N3OS3 — CID 167777886

IUPACN-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]-3-methylsulfanylthiophene-2-carboxamide
SMILESCSc1ccsc1C(=O)Nc1nc(-c2cccn2C)cs1
InChIInChI=1S/C14H13N3OS3/c1-17-6-3-4-10(17)9-8-21-14(15-9)16-13(18)12-11(19-2)5-7-20-12/h3-8H,1-2H3,(H,15,16,18)
InChIKeyWSIFSNDDZAXCSW-UHFFFAOYSA-N
MW335.48 g/mol
LogP4.18
Rot. Bonds4

About N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]-3-methylsulfanylthiophene-2-carboxamide

N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]-3-methylsulfanylthiophene-2-carboxamide (PubChem CID 167777886) has the molecular formula C14H13N3OS3 and a molecular weight of 335.48 g/mol. Its IUPAC name is N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]-3-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]-3-methylsulfanylthiophene-2-carboxamide
PubChem CID167777886
Molecular FormulaC14H13N3OS3
Molecular Weight335.48 g/mol
Exact Mass335.02
IUPAC NameN-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]-3-methylsulfanylthiophene-2-carboxamide
SMILESCSc1ccsc1C(=O)Nc1nc(-c2cccn2C)cs1
InChIInChI=1S/C14H13N3OS3/c1-17-6-3-4-10(17)9-8-21-14(15-9)16-13(18)12-11(19-2)5-7-20-12/h3-8H,1-2H3,(H,15,16,18)
InChIKeyWSIFSNDDZAXCSW-UHFFFAOYSA-N
XLogP4.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-fluorophenyl)-N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 56687387
3-(difluoromethoxy)-4-methoxy-N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]benzamide
CID 47045225
2-methylsulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 41154127
2-[(4-cyanophenyl)methylsulfanyl]-N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]acetamide
CID 47045226
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 8801425
2-methylsulfanyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8610272
methyl 4-[2-[[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 86897388
N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-methoxythiophene-2-carboxamide
CID 71858357
3-methoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 110446009
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 18225324
2,4-dimethyl-N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
CID 167936632
4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 22581409

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]-3-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]-3-methylsulfanylthiophene-2-carboxamide (CID 167777886) is N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]-3-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]-3-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]-3-methylsulfanylthiophene-2-carboxamide is CSc1ccsc1C(=O)Nc1nc(-c2cccn2C)cs1.
What is the InChIKey of N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]-3-methylsulfanylthiophene-2-carboxamide?
The InChIKey is WSIFSNDDZAXCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS3/c1-17-6-3-4-10(17)9-8-21-14(15-9)16-13(18)12-11(19-2)5-7-20-12/h3-8H,1-2H3,(H,15,16,18).
What are the key properties of N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]-3-methylsulfanylthiophene-2-carboxamide?
N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]-3-methylsulfanylthiophene-2-carboxamide has a molecular weight of 335.48 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]-3-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 167777886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).