(3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide

C13H11ClN6OS — CID 125433444

IUPAC(3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide
SMILESO=C(C[C@@H](c1ccsc1)n1cnnn1)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H11ClN6OS/c14-10-1-2-12(15-6-10)17-13(21)5-11(9-3-4-22-7-9)20-8-16-18-19-20/h1-4,6-8,11H,5H2,(H,15,17,21)/t11-/m0/s1
InChIKeyUJBBRGQVMODOJG-NSHDSACASA-N
MW334.79 g/mol
LogP2.40
Rot. Bonds5

About (3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide

(3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide (PubChem CID 125433444) has the molecular formula C13H11ClN6OS and a molecular weight of 334.79 g/mol. Its IUPAC name is (3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name(3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide
PubChem CID125433444
Molecular FormulaC13H11ClN6OS
Molecular Weight334.79 g/mol
Exact Mass334.04
IUPAC Name(3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide
SMILESO=C(C[C@@H](c1ccsc1)n1cnnn1)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H11ClN6OS/c14-10-1-2-12(15-6-10)17-13(21)5-11(9-3-4-22-7-9)20-8-16-18-19-20/h1-4,6-8,11H,5H2,(H,15,17,21)/t11-/m0/s1
InChIKeyUJBBRGQVMODOJG-NSHDSACASA-N
XLogP2.40
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide?
The IUPAC name of (3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide (CID 125433444) is (3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide.
What is the SMILES notation for (3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide?
The canonical SMILES for (3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide is O=C(C[C@@H](c1ccsc1)n1cnnn1)Nc1ccc(Cl)cn1.
What is the InChIKey of (3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide?
The InChIKey is UJBBRGQVMODOJG-NSHDSACASA-N. The full InChI is InChI=1S/C13H11ClN6OS/c14-10-1-2-12(15-6-10)17-13(21)5-11(9-3-4-22-7-9)20-8-16-18-19-20/h1-4,6-8,11H,5H2,(H,15,17,21)/t11-/m0/s1.
What are the key properties of (3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide?
(3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide has a molecular weight of 334.79 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-chloro-2-pyridinyl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 125433444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).