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

C16H23N5OS — CID 31125678

IUPAC5-[(2S)-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-/m0/s1
InChIKeyATTAZWWAEQJZQH-LBPRGKRZSA-N
MW333.46 g/mol
LogP2.92
Rot. Bonds5

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

5-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide (PubChem CID 31125678) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 5-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide
PubChem CID31125678
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name5-[(2S)-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-/m0/s1
InChIKeyATTAZWWAEQJZQH-LBPRGKRZSA-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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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 5-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide (CID 31125678) is 5-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-[(2S)-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-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide?
The InChIKey is ATTAZWWAEQJZQH-LBPRGKRZSA-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-/m0/s1.
What are the key properties of 5-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide?
5-[(2S)-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-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 31125678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).