2-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide

C19H16N6OS — CID 46570185

IUPAC2-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)Nc3ccc(-n4cnnn4)c(C)c3)cs2)cc1
InChIInChI=1S/C19H16N6OS/c1-12-3-5-14(6-4-12)19-22-16(10-27-19)18(26)21-15-7-8-17(13(2)9-15)25-11-20-23-24-25/h3-11H,1-2H3,(H,21,26)
InChIKeyWYYQDUBOYACPJP-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.65
Rot. Bonds4

About 2-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide

2-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 46570185) has the molecular formula C19H16N6OS and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID46570185
Molecular FormulaC19H16N6OS
Molecular Weight376.45 g/mol
Exact Mass376.11
IUPAC Name2-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)Nc3ccc(-n4cnnn4)c(C)c3)cs2)cc1
InChIInChI=1S/C19H16N6OS/c1-12-3-5-14(6-4-12)19-22-16(10-27-19)18(26)21-15-7-8-17(13(2)9-15)25-11-20-23-24-25/h3-11H,1-2H3,(H,21,26)
InChIKeyWYYQDUBOYACPJP-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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Related Compounds

2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788200
N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 858850
2,4,5-trimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-3-carboxamide
CID 36723061
2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 36723262
N-(1H-indol-5-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 143403398
2-amino-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 43713144
2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55865804
N-[3-methyl-4-(tetrazol-1-yl)phenyl]but-2-enamide
CID 112725296
2-(4-methylphenyl)-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 46478243
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 46570125
2-methyl-2-(methylamino)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 62847424
(E)-4-[3-methyl-4-(tetrazol-1-yl)anilino]-4-oxobut-2-enoic acid
CID 60940580

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 46570185) is 2-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)Nc3ccc(-n4cnnn4)c(C)c3)cs2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WYYQDUBOYACPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6OS/c1-12-3-5-14(6-4-12)19-22-16(10-27-19)18(26)21-15-7-8-17(13(2)9-15)25-11-20-23-24-25/h3-11H,1-2H3,(H,21,26).
What are the key properties of 2-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
2-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide 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 2-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46570185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).