N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C10H8ClF3N6OS — CID 2386494

IUPACN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H8ClF3N6OS/c1-20-9(17-18-19-20)22-4-7(21)16-8-6(11)2-5(3-15-8)10(12,13)14/h2-3H,4H2,1H3,(H,15,16,21)
InChIKeyPAHCWYOJCFOPLP-UHFFFAOYSA-N
MW352.73 g/mol
LogP2.01
Rot. Bonds4

About N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2386494) has the molecular formula C10H8ClF3N6OS and a molecular weight of 352.73 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID2386494
Molecular FormulaC10H8ClF3N6OS
Molecular Weight352.73 g/mol
Exact Mass352.01
IUPAC NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H8ClF3N6OS/c1-20-9(17-18-19-20)22-4-7(21)16-8-6(11)2-5(3-15-8)10(12,13)14/h2-3H,4H2,1H3,(H,15,16,21)
InChIKeyPAHCWYOJCFOPLP-UHFFFAOYSA-N
XLogP2.01
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.73
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide 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-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 2386494) is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is PAHCWYOJCFOPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N6OS/c1-20-9(17-18-19-20)22-4-7(21)16-8-6(11)2-5(3-15-8)10(12,13)14/h2-3H,4H2,1H3,(H,15,16,21).
What are the key properties of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 352.73 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2386494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).