N-(2-anilino-2-oxoethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide

C16H15N3O2S2 — CID 146331459

IUPACN-(2-anilino-2-oxoethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(C2=NCCS2)s1)Nc1ccccc1
InChIInChI=1S/C16H15N3O2S2/c20-14(19-11-4-2-1-3-5-11)10-18-15(21)12-6-7-13(23-12)16-17-8-9-22-16/h1-7H,8-10H2,(H,18,21)(H,19,20)
InChIKeyXXGYYOMPLBWMOD-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.61
Rot. Bonds5

About N-(2-anilino-2-oxoethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide

N-(2-anilino-2-oxoethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 146331459) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID146331459
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-(2-anilino-2-oxoethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(C2=NCCS2)s1)Nc1ccccc1
InChIInChI=1S/C16H15N3O2S2/c20-14(19-11-4-2-1-3-5-11)10-18-15(21)12-6-7-13(23-12)16-17-8-9-22-16/h1-7H,8-10H2,(H,18,21)(H,19,20)
InChIKeyXXGYYOMPLBWMOD-UHFFFAOYSA-N
XLogP2.61
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4,5-dihydro-1,3-thiazol-2-yl)-N-(12-phenoxydodecyl)thiophene-2-carboxamide
CID 146331694
N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 55849696
N,5-diphenylthiophene-2-carboxamide
CID 3746437
5-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]thiophene-2-carboxamide
CID 4849926
N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991
5-(4-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 46654582
5-bromo-N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 55960688
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 17413529
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18108028
N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18104528
5-(1,3-benzothiazol-2-yl)-N-[2-(benzylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 46461899
N-(2-anilino-2-oxoethyl)-3-[benzyl(methyl)amino]benzamide
CID 110353754

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 146331459) is N-(2-anilino-2-oxoethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide is O=C(CNC(=O)c1ccc(C2=NCCS2)s1)Nc1ccccc1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is XXGYYOMPLBWMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c20-14(19-11-4-2-1-3-5-11)10-18-15(21)12-6-7-13(23-12)16-17-8-9-22-16/h1-7H,8-10H2,(H,18,21)(H,19,20).
What are the key properties of N-(2-anilino-2-oxoethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide?
N-(2-anilino-2-oxoethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 146331459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).