N-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide

C13H15N5O2S — CID 56907734

IUPACN-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCNC(=O)c1ccc(C2CCCN2C(=O)c2cn[nH]n2)s1
InChIInChI=1S/C13H15N5O2S/c1-14-12(19)11-5-4-10(21-11)9-3-2-6-18(9)13(20)8-7-15-17-16-8/h4-5,7,9H,2-3,6H2,1H3,(H,14,19)(H,15,16,17)
InChIKeyXCHSJFSALCVINT-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.20
Rot. Bonds3

About N-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide

N-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 56907734) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID56907734
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC NameN-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCNC(=O)c1ccc(C2CCCN2C(=O)c2cn[nH]n2)s1
InChIInChI=1S/C13H15N5O2S/c1-14-12(19)11-5-4-10(21-11)9-3-2-6-18(9)13(20)8-7-15-17-16-8/h4-5,7,9H,2-3,6H2,1H3,(H,14,19)(H,15,16,17)
InChIKeyXCHSJFSALCVINT-UHFFFAOYSA-N
XLogP1.20
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 95722539
N-methyl-5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45236013
5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide
CID 45250395
N-[2-(2-hydroxyethoxy)ethyl]-5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45213273
2-[5-(methylcarbamoyl)thiophen-2-yl]-N-(3-methylsulfanylphenyl)pyrrolidine-1-carboxamide
CID 72939461
N-methyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
CID 110110288
5-(1-propylpyrrolidin-2-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]thiophene-2-carboxamide
CID 45199086
5-[(2S)-1-propylpyrrolidin-2-yl]-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]thiophene-2-carboxamide
CID 30956731
(2S)-2-[5-(methylcarbamoyl)thiophen-2-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)pyrrolidine-1-carboxamide
CID 97451689
(2,3-dimethylthiomorpholin-4-yl)-(2H-triazol-4-yl)methanone
CID 115634504
5-[(2S)-1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 95136573
5-[(2R)-1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 95136572

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide (CID 56907734) is N-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide is CNC(=O)c1ccc(C2CCCN2C(=O)c2cn[nH]n2)s1.
What is the InChIKey of N-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is XCHSJFSALCVINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-14-12(19)11-5-4-10(21-11)9-3-2-6-18(9)13(20)8-7-15-17-16-8/h4-5,7,9H,2-3,6H2,1H3,(H,14,19)(H,15,16,17).
What are the key properties of N-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
N-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 56907734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).