5-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide

C16H23N5OS — CID 31125676

IUPAC5-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide
SMILESCC(C)CN1CCC[C@@H]1c1ccc(C(=O)Nc2cn(C)nn2)s1
InChIInChI=1S/C16H23N5OS/c1-11(2)9-21-8-4-5-12(21)13-6-7-14(23-13)16(22)17-15-10-20(3)19-18-15/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,17,22)/t12-/m1/s1
InChIKeyATTAZWWAEQJZQH-GFCCVEGCSA-N
MW333.46 g/mol
LogP2.92
Rot. Bonds5

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

5-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide (PubChem CID 31125676) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 5-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide
PubChem CID31125676
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name5-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide
SMILESCC(C)CN1CCC[C@@H]1c1ccc(C(=O)Nc2cn(C)nn2)s1
InChIInChI=1S/C16H23N5OS/c1-11(2)9-21-8-4-5-12(21)13-6-7-14(23-13)16(22)17-15-10-20(3)19-18-15/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,17,22)/t12-/m1/s1
InChIKeyATTAZWWAEQJZQH-GFCCVEGCSA-N
XLogP2.92
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide
CID 45237884
(1,1-dioxo-1,4-thiazinan-4-yl)-[5-[1-(3-methylbutyl)pyrrolidin-2-yl]thiophen-2-yl]methanone
CID 45249650
5-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-4-ylthiophene-2-carboxamide
CID 28980406
5-[1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45216025
5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide
CID 45193553
5-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide
CID 45227389
N-(1,3-benzodioxol-5-yl)-5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]thiophene-2-carboxamide
CID 30937298
N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 28698360
N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[1-[(E)-hex-2-enyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45197540
1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine
CID 102544356
5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 45192185

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 5-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide (CID 31125676) is 5-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide is CC(C)CN1CCC[C@@H]1c1ccc(C(=O)Nc2cn(C)nn2)s1.
What is the InChIKey of 5-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide?
The InChIKey is ATTAZWWAEQJZQH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-11(2)9-21-8-4-5-12(21)13-6-7-14(23-13)16(22)17-15-10-20(3)19-18-15/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,17,22)/t12-/m1/s1.
What are the key properties of 5-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide?
5-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 31125676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).