2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

C12H11N7OS — CID 9421475

IUPAC2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1ccc(-c2nnnn2CC(=O)Nc2nncs2)cc1
InChIInChI=1S/C12H11N7OS/c1-8-2-4-9(5-3-8)11-15-17-18-19(11)6-10(20)14-12-16-13-7-21-12/h2-5,7H,6H2,1H3,(H,14,16,20)
InChIKeyPPKCMIUDOJOKJD-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.14
Rot. Bonds4

About 2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 9421475) has the molecular formula C12H11N7OS and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID9421475
Molecular FormulaC12H11N7OS
Molecular Weight301.34 g/mol
Exact Mass301.07
IUPAC Name2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1ccc(-c2nnnn2CC(=O)Nc2nncs2)cc1
InChIInChI=1S/C12H11N7OS/c1-8-2-4-9(5-3-8)11-15-17-18-19(11)6-10(20)14-12-16-13-7-21-12/h2-5,7H,6H2,1H3,(H,14,16,20)
InChIKeyPPKCMIUDOJOKJD-UHFFFAOYSA-N
XLogP1.14
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 9421444
2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 9421568
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(5-phenyltetrazol-1-yl)acetamide
CID 9419754
2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 9421161
N-(4-bromo-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-1-yl]acetamide
CID 9421150
2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-methylacetamide
CID 9421680
2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide
CID 9421929
methyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]acetate
CID 15007346
N-(1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-1-yl)acetamide
CID 9419811
N-[4-[2-[5-(4-methylphenyl)tetrazol-1-yl]acetyl]phenyl]acetamide
CID 9421405
4-(4-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 649235
N-(3-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-1-yl]acetamide
CID 9421628

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 9421475) is 2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is Cc1ccc(-c2nnnn2CC(=O)Nc2nncs2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is PPKCMIUDOJOKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7OS/c1-8-2-4-9(5-3-8)11-15-17-18-19(11)6-10(20)14-12-16-13-7-21-12/h2-5,7H,6H2,1H3,(H,14,16,20).
What are the key properties of 2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 301.34 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 9421475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).