N-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide

C15H13ClN6OS — CID 2997906

IUPACN-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESCC(Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H13ClN6OS/c1-10(14(23)18-13-8-7-11(16)9-17-13)24-15-19-20-21-22(15)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18,23)
InChIKeyJTTFMZCSMQVOKG-UHFFFAOYSA-N
MW360.83 g/mol
LogP2.83
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide

N-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 2997906) has the molecular formula C15H13ClN6OS and a molecular weight of 360.83 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
PubChem CID2997906
Molecular FormulaC15H13ClN6OS
Molecular Weight360.83 g/mol
Exact Mass360.06
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESCC(Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H13ClN6OS/c1-10(14(23)18-13-8-7-11(16)9-17-13)24-15-19-20-21-22(15)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18,23)
InChIKeyJTTFMZCSMQVOKG-UHFFFAOYSA-N
XLogP2.83
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.83
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide 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 N-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (CID 2997906) is N-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is CC(Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is JTTFMZCSMQVOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6OS/c1-10(14(23)18-13-8-7-11(16)9-17-13)24-15-19-20-21-22(15)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18,23).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
N-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 360.83 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 2997906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).