(2R)-2-thiophen-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide

C14H19N5OS — CID 94057824

IUPAC(2R)-2-thiophen-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCCn1cncn1)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C14H19N5OS/c20-14(16-5-2-6-18-11-15-10-17-18)19-7-1-3-13(19)12-4-8-21-9-12/h4,8-11,13H,1-3,5-7H2,(H,16,20)/t13-/m1/s1
InChIKeyOVJLRWSDLQZXTD-CYBMUJFWSA-N
MW305.41 g/mol
LogP2.28
Rot. Bonds5

About (2R)-2-thiophen-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide

(2R)-2-thiophen-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide (PubChem CID 94057824) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is (2R)-2-thiophen-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-thiophen-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide
PubChem CID94057824
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name(2R)-2-thiophen-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCCn1cncn1)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C14H19N5OS/c20-14(16-5-2-6-18-11-15-10-17-18)19-7-1-3-13(19)12-4-8-21-9-12/h4,8-11,13H,1-3,5-7H2,(H,16,20)/t13-/m1/s1
InChIKeyOVJLRWSDLQZXTD-CYBMUJFWSA-N
XLogP2.28
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(3-pyrazol-1-ylpropyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94030715
(2R)-2-(4-ethoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 94058325
2-(3-methoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 51084199
3-[(2-thiophen-3-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019398
(2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94054166
(2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94053971
(2S)-2-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-1-carboxamide
CID 125436060
(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94030226
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 55792658
(2S)-N-(2-oxo-2-piperidin-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94103812
(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94031902
3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
CID 53498427

Frequently Asked Questions

What is the IUPAC name of (2R)-2-thiophen-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-thiophen-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide (CID 94057824) is (2R)-2-thiophen-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-thiophen-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-thiophen-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide is O=C(NCCCn1cncn1)N1CCC[C@@H]1c1ccsc1.
What is the InChIKey of (2R)-2-thiophen-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide?
The InChIKey is OVJLRWSDLQZXTD-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N5OS/c20-14(16-5-2-6-18-11-15-10-17-18)19-7-1-3-13(19)12-4-8-21-9-12/h4,8-11,13H,1-3,5-7H2,(H,16,20)/t13-/m1/s1.
What are the key properties of (2R)-2-thiophen-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide?
(2R)-2-thiophen-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-thiophen-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 94057824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).