N-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide

C16H13N3O2S3 — CID 19298761

IUPACN-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
SMILESO=C(CSc1cccc(NC(=O)c2cccs2)c1)Nc1nccs1
InChIInChI=1S/C16H13N3O2S3/c20-14(19-16-17-6-8-23-16)10-24-12-4-1-3-11(9-12)18-15(21)13-5-2-7-22-13/h1-9H,10H2,(H,18,21)(H,17,19,20)
InChIKeyFDPQCFNALYRGTR-UHFFFAOYSA-N
MW375.50 g/mol
LogP4.19
Rot. Bonds6

About N-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide

N-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide (PubChem CID 19298761) has the molecular formula C16H13N3O2S3 and a molecular weight of 375.50 g/mol. Its IUPAC name is N-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
PubChem CID19298761
Molecular FormulaC16H13N3O2S3
Molecular Weight375.50 g/mol
Exact Mass375.02
IUPAC NameN-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
SMILESO=C(CSc1cccc(NC(=O)c2cccs2)c1)Nc1nccs1
InChIInChI=1S/C16H13N3O2S3/c20-14(19-16-17-6-8-23-16)10-24-12-4-1-3-11(9-12)18-15(21)13-5-2-7-22-13/h1-9H,10H2,(H,18,21)(H,17,19,20)
InChIKeyFDPQCFNALYRGTR-UHFFFAOYSA-N
XLogP4.19
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19298764
4-methyl-N-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]benzamide
CID 19298977
N-[3-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906203
(E)-4-oxo-4-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylanilino]but-2-enoic acid
CID 18898789
N-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906207
N-[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18900306
N-[(Z)-1-(4-fluorophenyl)-3-oxo-3-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 19320333
N-[(E)-1-(3-bromophenyl)-3-oxo-3-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 19321413
N-[3-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19298769
N-[3-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906235
N-[3-[2-[(3-cyano-4-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18911138
N-[3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide
CID 31516052

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide (CID 19298761) is N-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide is O=C(CSc1cccc(NC(=O)c2cccs2)c1)Nc1nccs1.
What is the InChIKey of N-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide?
The InChIKey is FDPQCFNALYRGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S3/c20-14(19-16-17-6-8-23-16)10-24-12-4-1-3-11(9-12)18-15(21)13-5-2-7-22-13/h1-9H,10H2,(H,18,21)(H,17,19,20).
What are the key properties of N-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide?
N-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 19298761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).