N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

C15H17N3O2S2 — CID 117093615

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc(-c2cccs2)s1
InChIInChI=1S/C15H17N3O2S2/c19-13-5-1-7-18(13)8-3-6-16-14(20)12-10-17-15(22-12)11-4-2-9-21-11/h2,4,9-10H,1,3,5-8H2,(H,16,20)
InChIKeyBPWJHIHBUMIBGZ-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.61
Rot. Bonds6

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 117093615) has the molecular formula C15H17N3O2S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
PubChem CID117093615
Molecular FormulaC15H17N3O2S2
Molecular Weight335.45 g/mol
Exact Mass335.08
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc(-c2cccs2)s1
InChIInChI=1S/C15H17N3O2S2/c19-13-5-1-7-18(13)8-3-6-16-14(20)12-10-17-15(22-12)11-4-2-9-21-11/h2,4,9-10H,1,3,5-8H2,(H,16,20)
InChIKeyBPWJHIHBUMIBGZ-UHFFFAOYSA-N
XLogP2.61
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 176776996
N-[3-(2-oxoazepan-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46537541
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 117081453
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 18135858
6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 143798014
N-[3-[[N-ethyl-N'-[3-(2-oxopyrrolidin-1-yl)propyl]carbamimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide
CID 111147679
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 72894736
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2359615
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63048000
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide
CID 67987669
5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide
CID 2225281
1-ethyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111146787

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (CID 117093615) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is O=C(NCCCN1CCCC1=O)c1cnc(-c2cccs2)s1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is BPWJHIHBUMIBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S2/c19-13-5-1-7-18(13)8-3-6-16-14(20)12-10-17-15(22-12)11-4-2-9-21-11/h2,4,9-10H,1,3,5-8H2,(H,16,20).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117093615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).