N-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C18H17N3O2S2 — CID 51191452

IUPACN-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCCN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)c1ccccc1
InChIInChI=1S/C18H17N3O2S2/c1-2-21(14-7-4-3-5-8-14)16(22)11-13-12-25-18(19-13)20-17(23)15-9-6-10-24-15/h3-10,12H,2,11H2,1H3,(H,19,20,23)
InChIKeyDIVYVDSVACWNHN-UHFFFAOYSA-N
MW371.49 g/mol
LogP4.05
Rot. Bonds6

About N-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 51191452) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID51191452
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC NameN-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCCN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)c1ccccc1
InChIInChI=1S/C18H17N3O2S2/c1-2-21(14-7-4-3-5-8-14)16(22)11-13-12-25-18(19-13)20-17(23)15-9-6-10-24-15/h3-10,12H,2,11H2,1H3,(H,19,20,23)
InChIKeyDIVYVDSVACWNHN-UHFFFAOYSA-N
XLogP4.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 46483651
N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229017
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17414617
N-[4-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 38035313
N-[4-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 55371992
N-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 134017616
N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 16820241
N-[4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 119444365
N-[4-[2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 119826140
N-[4-[ethyl(phenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 2981018
N-[4-[2-(2-anilinoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 112771279
N-[4-[2-[(4-cyanophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 39859559

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 51191452) is N-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is CCN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)c1ccccc1.
What is the InChIKey of N-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is DIVYVDSVACWNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-2-21(14-7-4-3-5-8-14)16(22)11-13-12-25-18(19-13)20-17(23)15-9-6-10-24-15/h3-10,12H,2,11H2,1H3,(H,19,20,23).
What are the key properties of N-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 51191452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).