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

C19H16N6OS — CID 9421444

IUPAC2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(-c2nnnn2CC(=O)Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C19H16N6OS/c1-13-7-9-15(10-8-13)18-22-23-24-25(18)11-17(26)21-19-20-16(12-27-19)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,21,26)
InChIKeyMKHYDGVVJDKRHP-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.41
Rot. Bonds5

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

2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 9421444) has the molecular formula C19H16N6OS and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID9421444
Molecular FormulaC19H16N6OS
Molecular Weight376.45 g/mol
Exact Mass376.11
IUPAC Name2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(-c2nnnn2CC(=O)Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C19H16N6OS/c1-13-7-9-15(10-8-13)18-22-23-24-25(18)11-17(26)21-19-20-16(12-27-19)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,21,26)
InChIKeyMKHYDGVVJDKRHP-UHFFFAOYSA-N
XLogP3.41
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 9421475
2-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 800348
N-(1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-1-yl)acetamide
CID 9419811
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22200140
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(5-phenyltetrazol-1-yl)acetamide
CID 9419754
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 5300248
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 22197140
2-(2-methylindol-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4050178
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 43951129
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide
CID 55997540
2-(4,6-dimethyl-5,7-dioxotriazolo[4,5-d]pyrimidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 87424137
2-[5-[(4-methylphenoxy)methyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 126164211

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 9421444) is 2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is Cc1ccc(-c2nnnn2CC(=O)Nc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is MKHYDGVVJDKRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6OS/c1-13-7-9-15(10-8-13)18-22-23-24-25(18)11-17(26)21-19-20-16(12-27-19)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,21,26).
What are the key properties of 2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 376.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 9421444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).