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

C12H13N3O2S2 — CID 814245

IUPACN-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
SMILESCCN(CC(=O)Nc1nccs1)C(=O)c1cccs1
InChIInChI=1S/C12H13N3O2S2/c1-2-15(11(17)9-4-3-6-18-9)8-10(16)14-12-13-5-7-19-12/h3-7H,2,8H2,1H3,(H,13,14,16)
InChIKeyVKXXQUQJSAKEMP-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.31
Rot. Bonds5

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

N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide (PubChem CID 814245) has the molecular formula C12H13N3O2S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
PubChem CID814245
Molecular FormulaC12H13N3O2S2
Molecular Weight295.39 g/mol
Exact Mass295.04
IUPAC NameN-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
SMILESCCN(CC(=O)Nc1nccs1)C(=O)c1cccs1
InChIInChI=1S/C12H13N3O2S2/c1-2-15(11(17)9-4-3-6-18-9)8-10(16)14-12-13-5-7-19-12/h3-7H,2,8H2,1H3,(H,13,14,16)
InChIKeyVKXXQUQJSAKEMP-UHFFFAOYSA-N
XLogP2.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 5046659
N-(3-methoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 4108317
N-ethyl-2-methoxy-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 814268
N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 42769972
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 60643349
N,N-diethylthiophene-2-carboxamide
CID 962897
CID 69259223
CID 69259223
N-ethyl-2-(4-fluorophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]acetamide
CID 814271
N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]adamantane-1-carboxamide
CID 4568827
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 26353614
2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 86910837
N-ethyl-2-(4-methoxyphenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]acetamide
CID 814252

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide (CID 814245) is N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide is CCN(CC(=O)Nc1nccs1)C(=O)c1cccs1.
What is the InChIKey of N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is VKXXQUQJSAKEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S2/c1-2-15(11(17)9-4-3-6-18-9)8-10(16)14-12-13-5-7-19-12/h3-7H,2,8H2,1H3,(H,13,14,16).
What are the key properties of N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide?
N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 814245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).