N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C15H13N3O2S3 — CID 16820241

IUPACN-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2cccs2)n1)NCc1cccs1
InChIInChI=1S/C15H13N3O2S3/c19-13(16-8-11-3-1-5-21-11)7-10-9-23-15(17-10)18-14(20)12-4-2-6-22-12/h1-6,9H,7-8H2,(H,16,19)(H,17,18,20)
InChIKeyLNLCIBDCIPZRGB-UHFFFAOYSA-N
MW363.49 g/mol
LogP3.38
Rot. Bonds6

About N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 16820241) has the molecular formula C15H13N3O2S3 and a molecular weight of 363.49 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID16820241
Molecular FormulaC15H13N3O2S3
Molecular Weight363.49 g/mol
Exact Mass363.02
IUPAC NameN-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2cccs2)n1)NCc1cccs1
InChIInChI=1S/C15H13N3O2S3/c19-13(16-8-11-3-1-5-21-11)7-10-9-23-15(17-10)18-14(20)12-4-2-6-22-12/h1-6,9H,7-8H2,(H,16,19)(H,17,18,20)
InChIKeyLNLCIBDCIPZRGB-UHFFFAOYSA-N
XLogP3.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229017
methyl N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]carbamate
CID 16883763
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17414617
N-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 38294108
N-[4-[2-oxo-2-(pyridin-4-ylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 51275054
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 29369939
N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515460
N-[4-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride
CID 120507248
N-[4-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 119478812
N-[4-[2-(2-anilinoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 112771279
N-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17431209
N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229370

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 16820241) is N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C(Cc1csc(NC(=O)c2cccs2)n1)NCc1cccs1.
What is the InChIKey of N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is LNLCIBDCIPZRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S3/c19-13(16-8-11-3-1-5-21-11)7-10-9-23-15(17-10)18-14(20)12-4-2-6-22-12/h1-6,9H,7-8H2,(H,16,19)(H,17,18,20).
What are the key properties of N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 363.49 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 16820241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).