4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(5H-tetrazol-5-yl)benzamide

C17H20N8OS — CID 10221630

IUPAC4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(5H-tetrazol-5-yl)benzamide
SMILESCn1nc(-c2ccc(C(=O)NC3N=NN=N3)cc2)s/c1=N\C1CCCCC1
InChIInChI=1S/C17H20N8OS/c1-25-17(18-13-5-3-2-4-6-13)27-15(22-25)12-9-7-11(8-10-12)14(26)19-16-20-23-24-21-16/h7-10,13,16H,2-6H2,1H3,(H,19,26)/b18-17-
InChIKeyLELQCLWWOUHIAZ-ZCXUNETKSA-N
MW384.47 g/mol
LogP3.23
Rot. Bonds4

About 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(5H-tetrazol-5-yl)benzamide

4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(5H-tetrazol-5-yl)benzamide (PubChem CID 10221630) has the molecular formula C17H20N8OS and a molecular weight of 384.47 g/mol. Its IUPAC name is 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(5H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(5H-tetrazol-5-yl)benzamide
PubChem CID10221630
Molecular FormulaC17H20N8OS
Molecular Weight384.47 g/mol
Exact Mass384.15
IUPAC Name4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(5H-tetrazol-5-yl)benzamide
SMILESCn1nc(-c2ccc(C(=O)NC3N=NN=N3)cc2)s/c1=N\C1CCCCC1
InChIInChI=1S/C17H20N8OS/c1-25-17(18-13-5-3-2-4-6-13)27-15(22-25)12-9-7-11(8-10-12)14(26)19-16-20-23-24-21-16/h7-10,13,16H,2-6H2,1H3,(H,19,26)/b18-17-
InChIKeyLELQCLWWOUHIAZ-ZCXUNETKSA-N
XLogP3.23
TPSA108.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(5H-tetrazol-5-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 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(5H-tetrazol-5-yl)benzamide?
The IUPAC name of 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(5H-tetrazol-5-yl)benzamide (CID 10221630) is 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(5H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(5H-tetrazol-5-yl)benzamide?
The canonical SMILES for 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(5H-tetrazol-5-yl)benzamide is Cn1nc(-c2ccc(C(=O)NC3N=NN=N3)cc2)s/c1=N\C1CCCCC1.
What is the InChIKey of 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(5H-tetrazol-5-yl)benzamide?
The InChIKey is LELQCLWWOUHIAZ-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H20N8OS/c1-25-17(18-13-5-3-2-4-6-13)27-15(22-25)12-9-7-11(8-10-12)14(26)19-16-20-23-24-21-16/h7-10,13,16H,2-6H2,1H3,(H,19,26)/b18-17-.
What are the key properties of 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(5H-tetrazol-5-yl)benzamide?
4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(5H-tetrazol-5-yl)benzamide has a molecular weight of 384.47 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(5H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 10221630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).