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

C19H16N6OS — CID 56911908

IUPACN-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)benzamide
SMILESCN(Cc1csc(-c2ccccc2)n1)C(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C19H16N6OS/c1-24(11-16-12-27-18(21-16)14-5-3-2-4-6-14)19(26)15-7-9-17(10-8-15)25-13-20-22-23-25/h2-10,12-13H,11H2,1H3
InChIKeyGULTWUFNRWIZJZ-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.06
Rot. Bonds5

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

N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 56911908) has the molecular formula C19H16N6OS and a molecular weight of 376.45 g/mol. Its IUPAC name is N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)benzamide
PubChem CID56911908
Molecular FormulaC19H16N6OS
Molecular Weight376.45 g/mol
Exact Mass376.11
IUPAC NameN-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)benzamide
SMILESCN(Cc1csc(-c2ccccc2)n1)C(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C19H16N6OS/c1-24(11-16-12-27-18(21-16)14-5-3-2-4-6-14)19(26)15-7-9-17(10-8-15)25-13-20-22-23-25/h2-10,12-13H,11H2,1H3
InChIKeyGULTWUFNRWIZJZ-UHFFFAOYSA-N
XLogP3.06
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 56909680
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 32544801
N,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 56884558
N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 56897241
[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl 4-(tetrazol-1-yl)benzoate
CID 9455557
N,1-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 56888348
3-[methyl-[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid
CID 60988731
N-methyl-2,4-dioxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-6-carboxamide
CID 56888778
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 29465073
N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 29415782
N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-yl)benzamide
CID 131923845
4-(tetrazol-1-yl)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 46636660

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)benzamide (CID 56911908) is N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)benzamide is CN(Cc1csc(-c2ccccc2)n1)C(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is GULTWUFNRWIZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6OS/c1-24(11-16-12-27-18(21-16)14-5-3-2-4-6-14)19(26)15-7-9-17(10-8-15)25-13-20-22-23-25/h2-10,12-13H,11H2,1H3.
What are the key properties of N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)benzamide?
N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 376.45 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 56911908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).