4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiadiazole-5-carboxamide

C11H9N7OS — CID 146021769

IUPAC4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C11H9N7OS/c1-7-10(20-17-14-7)11(19)13-8-3-2-4-9(5-8)18-6-12-15-16-18/h2-6H,1H3,(H,13,19)
InChIKeyGULJZDXGMJIYJG-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.07
Rot. Bonds3

About 4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiadiazole-5-carboxamide

4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiadiazole-5-carboxamide (PubChem CID 146021769) has the molecular formula C11H9N7OS and a molecular weight of 287.31 g/mol. Its IUPAC name is 4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiadiazole-5-carboxamide
PubChem CID146021769
Molecular FormulaC11H9N7OS
Molecular Weight287.31 g/mol
Exact Mass287.06
IUPAC Name4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C11H9N7OS/c1-7-10(20-17-14-7)11(19)13-8-3-2-4-9(5-8)18-6-12-15-16-18/h2-6H,1H3,(H,13,19)
InChIKeyGULJZDXGMJIYJG-UHFFFAOYSA-N
XLogP1.07
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 17445534
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 43702822
5-(4-methylphenyl)-N-[3-(tetrazol-1-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 146021404
1-methyl-5-pyrrol-1-yl-N-[3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 38136593
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708
(2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 54991235
5-hydroxy-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
CID 63860092
N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide
CID 55700294
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198
2-methyl-2-(methylamino)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 62836405
2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid
CID 65346450

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiadiazole-5-carboxamide (CID 146021769) is 4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1cccc(-n2cnnn2)c1.
What is the InChIKey of 4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiadiazole-5-carboxamide?
The InChIKey is GULJZDXGMJIYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N7OS/c1-7-10(20-17-14-7)11(19)13-8-3-2-4-9(5-8)18-6-12-15-16-18/h2-6H,1H3,(H,13,19).
What are the key properties of 4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiadiazole-5-carboxamide?
4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiadiazole-5-carboxamide has a molecular weight of 287.31 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 146021769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).