5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide

C18H20N6O2S — CID 45237884

IUPAC5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide
SMILESCn1cc(NC(=O)c2ccc(C3CCCN3C(=O)c3cccn3C)s2)nn1
InChIInChI=1S/C18H20N6O2S/c1-22-9-3-6-13(22)18(26)24-10-4-5-12(24)14-7-8-15(27-14)17(25)19-16-11-23(2)21-20-16/h3,6-9,11-12H,4-5,10H2,1-2H3,(H,19,25)
InChIKeyJZYWDOFRMHLWPG-UHFFFAOYSA-N
MW384.47 g/mol
LogP2.44
Rot. Bonds4

About 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide

5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide (PubChem CID 45237884) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide
PubChem CID45237884
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC Name5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide
SMILESCn1cc(NC(=O)c2ccc(C3CCCN3C(=O)c3cccn3C)s2)nn1
InChIInChI=1S/C18H20N6O2S/c1-22-9-3-6-13(22)18(26)24-10-4-5-12(24)14-7-8-15(27-14)17(25)19-16-11-23(2)21-20-16/h3,6-9,11-12H,4-5,10H2,1-2H3,(H,19,25)
InChIKeyJZYWDOFRMHLWPG-UHFFFAOYSA-N
XLogP2.44
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide
CID 31125678
5-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide
CID 31125676
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95569418
N-methyl-5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45236013
5-[1-(furan-3-carbonyl)pyrrolidin-2-yl]-N-(1-methyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
CID 45231508
[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 127246960
[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 110113681
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95283621
methyl 1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 43409912
methyl (2S)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 101252038
(1-methylpyrrol-2-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768314
N-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 56907734

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide (CID 45237884) is 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide is Cn1cc(NC(=O)c2ccc(C3CCCN3C(=O)c3cccn3C)s2)nn1.
What is the InChIKey of 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide?
The InChIKey is JZYWDOFRMHLWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S/c1-22-9-3-6-13(22)18(26)24-10-4-5-12(24)14-7-8-15(27-14)17(25)19-16-11-23(2)21-20-16/h3,6-9,11-12H,4-5,10H2,1-2H3,(H,19,25).
What are the key properties of 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide?
5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide has a molecular weight of 384.47 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 45237884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).