5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide

C18H25N5O2S — CID 135884261

IUPAC5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide
SMILESCN(Cc1n[nH]c(=O)[nH]1)C(=O)c1ccc([C@@H]2CCCN2C2CCCC2)s1
InChIInChI=1S/C18H25N5O2S/c1-22(11-16-19-18(25)21-20-16)17(24)15-9-8-14(26-15)13-7-4-10-23(13)12-5-2-3-6-12/h8-9,12-13H,2-7,10-11H2,1H3,(H2,19,20,21,25)/t13-/m0/s1
InChIKeyOSQTXUINAOSTGP-ZDUSSCGKSA-N
MW375.50 g/mol
LogP2.51
Rot. Bonds5

About 5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide

5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 135884261) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is 5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide
PubChem CID135884261
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC Name5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide
SMILESCN(Cc1n[nH]c(=O)[nH]1)C(=O)c1ccc([C@@H]2CCCN2C2CCCC2)s1
InChIInChI=1S/C18H25N5O2S/c1-22(11-16-19-18(25)21-20-16)17(24)15-9-8-14(26-15)13-7-4-10-23(13)12-5-2-3-6-12/h8-9,12-13H,2-7,10-11H2,1H3,(H2,19,20,21,25)/t13-/m0/s1
InChIKeyOSQTXUINAOSTGP-ZDUSSCGKSA-N
XLogP2.51
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide (CID 135884261) is 5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide is CN(Cc1n[nH]c(=O)[nH]1)C(=O)c1ccc([C@@H]2CCCN2C2CCCC2)s1.
What is the InChIKey of 5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is OSQTXUINAOSTGP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-22(11-16-19-18(25)21-20-16)17(24)15-9-8-14(26-15)13-7-4-10-23(13)12-5-2-3-6-12/h8-9,12-13H,2-7,10-11H2,1H3,(H2,19,20,21,25)/t13-/m0/s1.
What are the key properties of 5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide?
5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 135884261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).