N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide

C18H13ClN6OS — CID 7465196

IUPACN-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C18H13ClN6OS/c19-14-5-1-12(2-6-14)9-16-10-20-18(27-16)22-17(26)13-3-7-15(8-4-13)25-11-21-23-24-25/h1-8,10-11H,9H2,(H,20,22,26)
InChIKeyAOKXOGMYLAKJKO-UHFFFAOYSA-N
MW396.86 g/mol
LogP3.62
Rot. Bonds5

About N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide

N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide (PubChem CID 7465196) has the molecular formula C18H13ClN6OS and a molecular weight of 396.86 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
PubChem CID7465196
Molecular FormulaC18H13ClN6OS
Molecular Weight396.86 g/mol
Exact Mass396.06
IUPAC NameN-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C18H13ClN6OS/c19-14-5-1-12(2-6-14)9-16-10-20-18(27-16)22-17(26)13-3-7-15(8-4-13)25-11-21-23-24-25/h1-8,10-11H,9H2,(H,20,22,26)
InChIKeyAOKXOGMYLAKJKO-UHFFFAOYSA-N
XLogP3.62
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.86
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide 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-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide (CID 7465196) is N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide is O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is AOKXOGMYLAKJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN6OS/c19-14-5-1-12(2-6-14)9-16-10-20-18(27-16)22-17(26)13-3-7-15(8-4-13)25-11-21-23-24-25/h1-8,10-11H,9H2,(H,20,22,26).
What are the key properties of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide?
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 396.86 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 7465196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).