5-[1-(furan-3-carbonyl)pyrrolidin-2-yl]-N-(1-methyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide

C17H17N5O3S — CID 45231508

IUPAC5-[1-(furan-3-carbonyl)pyrrolidin-2-yl]-N-(1-methyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
SMILESCn1cnc(NC(=O)c2ccc(C3CCCN3C(=O)c3ccoc3)s2)n1
InChIInChI=1S/C17H17N5O3S/c1-21-10-18-17(20-21)19-15(23)14-5-4-13(26-14)12-3-2-7-22(12)16(24)11-6-8-25-9-11/h4-6,8-10,12H,2-3,7H2,1H3,(H,19,20,23)
InChIKeyJEFKPIKCHWSIPA-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.70
Rot. Bonds4

About 5-[1-(furan-3-carbonyl)pyrrolidin-2-yl]-N-(1-methyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide

5-[1-(furan-3-carbonyl)pyrrolidin-2-yl]-N-(1-methyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide (PubChem CID 45231508) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 5-[1-(furan-3-carbonyl)pyrrolidin-2-yl]-N-(1-methyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-(furan-3-carbonyl)pyrrolidin-2-yl]-N-(1-methyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
PubChem CID45231508
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name5-[1-(furan-3-carbonyl)pyrrolidin-2-yl]-N-(1-methyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
SMILESCn1cnc(NC(=O)c2ccc(C3CCCN3C(=O)c3ccoc3)s2)n1
InChIInChI=1S/C17H17N5O3S/c1-21-10-18-17(20-21)19-15(23)14-5-4-13(26-14)12-3-2-7-22(12)16(24)11-6-8-25-9-11/h4-6,8-10,12H,2-3,7H2,1H3,(H,19,20,23)
InChIKeyJEFKPIKCHWSIPA-UHFFFAOYSA-N
XLogP2.70
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide
CID 45237884
furan-3-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631497
5-[(2R)-1-(1-benzofuran-5-carbonyl)pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 29056960
N-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 56907734
N-(1H-benzimidazol-2-yl)-5-[(2S)-1-propanoylpyrrolidin-2-yl]thiophene-2-carboxamide
CID 28642143
(4-methylphenyl)-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone
CID 86952989
N,N-dimethyl-5-[1-[3-(1,2,4-triazol-4-yl)benzoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45210061
5-[(2S)-1-propanoylpyrrolidin-2-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 92556707
(4-hydroxypiperidin-1-yl)-[5-[(2R)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]methanone
CID 31054211
(4-hydroxypiperidin-1-yl)-[5-[1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]methanone
CID 45218829
furan-3-yl-[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95110697
(6-amino-3-pyridinyl)-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 5-[1-(furan-3-carbonyl)pyrrolidin-2-yl]-N-(1-methyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-[1-(furan-3-carbonyl)pyrrolidin-2-yl]-N-(1-methyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide (CID 45231508) is 5-[1-(furan-3-carbonyl)pyrrolidin-2-yl]-N-(1-methyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-(furan-3-carbonyl)pyrrolidin-2-yl]-N-(1-methyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-[1-(furan-3-carbonyl)pyrrolidin-2-yl]-N-(1-methyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide is Cn1cnc(NC(=O)c2ccc(C3CCCN3C(=O)c3ccoc3)s2)n1.
What is the InChIKey of 5-[1-(furan-3-carbonyl)pyrrolidin-2-yl]-N-(1-methyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide?
The InChIKey is JEFKPIKCHWSIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-21-10-18-17(20-21)19-15(23)14-5-4-13(26-14)12-3-2-7-22(12)16(24)11-6-8-25-9-11/h4-6,8-10,12H,2-3,7H2,1H3,(H,19,20,23).
What are the key properties of 5-[1-(furan-3-carbonyl)pyrrolidin-2-yl]-N-(1-methyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide?
5-[1-(furan-3-carbonyl)pyrrolidin-2-yl]-N-(1-methyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(furan-3-carbonyl)pyrrolidin-2-yl]-N-(1-methyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 45231508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).