N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide

C19H16N6OS — CID 8780717

IUPACN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccccc3-n3cnnn3)n2)cc1C
InChIInChI=1S/C19H16N6OS/c1-12-7-8-14(9-13(12)2)16-10-27-19(21-16)22-18(26)15-5-3-4-6-17(15)25-11-20-23-24-25/h3-11H,1-2H3,(H,21,22,26)
InChIKeyGNMUXPCEXBSDOE-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.65
Rot. Bonds4

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

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide (PubChem CID 8780717) has the molecular formula C19H16N6OS and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
PubChem CID8780717
Molecular FormulaC19H16N6OS
Molecular Weight376.45 g/mol
Exact Mass376.11
IUPAC NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccccc3-n3cnnn3)n2)cc1C
InChIInChI=1S/C19H16N6OS/c1-12-7-8-14(9-13(12)2)16-10-27-19(21-16)22-18(26)15-5-3-4-6-17(15)25-11-20-23-24-25/h3-11H,1-2H3,(H,21,22,26)
InChIKeyGNMUXPCEXBSDOE-UHFFFAOYSA-N
XLogP3.65
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide (CID 8780717) is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide is Cc1ccc(-c2csc(NC(=O)c3ccccc3-n3cnnn3)n2)cc1C.
What is the InChIKey of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is GNMUXPCEXBSDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6OS/c1-12-7-8-14(9-13(12)2)16-10-27-19(21-16)22-18(26)15-5-3-4-6-17(15)25-11-20-23-24-25/h3-11H,1-2H3,(H,21,22,26).
What are the key properties of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide?
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 376.45 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 8780717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).