N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C19H15ClN6OS2 — CID 992929

IUPACN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ncc(Cc2ccccc2Cl)s1
InChIInChI=1S/C19H15ClN6OS2/c20-16-9-5-4-6-13(16)10-15-11-21-18(29-15)22-17(27)12-28-19-23-24-25-26(19)14-7-2-1-3-8-14/h1-9,11H,10,12H2,(H,21,22,27)
InChIKeyMHIWUIHNDOQBPQ-UHFFFAOYSA-N
MW442.96 g/mol
LogP4.09
Rot. Bonds7

About N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 992929) has the molecular formula C19H15ClN6OS2 and a molecular weight of 442.96 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID992929
Molecular FormulaC19H15ClN6OS2
Molecular Weight442.96 g/mol
Exact Mass442.04
IUPAC NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ncc(Cc2ccccc2Cl)s1
InChIInChI=1S/C19H15ClN6OS2/c20-16-9-5-4-6-13(16)10-15-11-21-18(29-15)22-17(27)12-28-19-23-24-25-26(19)14-7-2-1-3-8-14/h1-9,11H,10,12H2,(H,21,22,27)
InChIKeyMHIWUIHNDOQBPQ-UHFFFAOYSA-N
XLogP4.09
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.96
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-phenyltetrazol-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-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 992929) is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1ccccc1)Nc1ncc(Cc2ccccc2Cl)s1.
What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is MHIWUIHNDOQBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6OS2/c20-16-9-5-4-6-13(16)10-15-11-21-18(29-15)22-17(27)12-28-19-23-24-25-26(19)14-7-2-1-3-8-14/h1-9,11H,10,12H2,(H,21,22,27).
What are the key properties of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 442.96 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 992929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).