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

C17H15N3O2S2 — CID 41229017

IUPACN-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2cccs2)n1)NCc1ccccc1
InChIInChI=1S/C17H15N3O2S2/c21-15(18-10-12-5-2-1-3-6-12)9-13-11-24-17(19-13)20-16(22)14-7-4-8-23-14/h1-8,11H,9-10H2,(H,18,21)(H,19,20,22)
InChIKeyJUUHCMPQTFRLHO-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.32
Rot. Bonds6

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

N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 41229017) has the molecular formula C17H15N3O2S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID41229017
Molecular FormulaC17H15N3O2S2
Molecular Weight357.46 g/mol
Exact Mass357.06
IUPAC NameN-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2cccs2)n1)NCc1ccccc1
InChIInChI=1S/C17H15N3O2S2/c21-15(18-10-12-5-2-1-3-6-12)9-13-11-24-17(19-13)20-16(22)14-7-4-8-23-14/h1-8,11H,9-10H2,(H,18,21)(H,19,20,22)
InChIKeyJUUHCMPQTFRLHO-UHFFFAOYSA-N
XLogP3.32
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 38294108
N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 16820241
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17414617
N-[4-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 60535660
N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 27172901
N-[4-[2-(2-anilinoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 112771279
N-[4-[2-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 55894056
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-oxo-2-(pyridin-4-ylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 51275054
N-benzylthiophene-2-carboxamide
CID 574227
N-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 51191452
N-[4-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 51295992

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 41229017) is N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C(Cc1csc(NC(=O)c2cccs2)n1)NCc1ccccc1.
What is the InChIKey of N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is JUUHCMPQTFRLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S2/c21-15(18-10-12-5-2-1-3-6-12)9-13-11-24-17(19-13)20-16(22)14-7-4-8-23-14/h1-8,11H,9-10H2,(H,18,21)(H,19,20,22).
What are the key properties of N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 41229017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).