2-(4-methoxyphenyl)-4-methyl-N-(2H-tetrazol-5-yl)-1,3-thiazole-5-carboxamide

C13H12N6O2S — CID 14772776

IUPAC2-(4-methoxyphenyl)-4-methyl-N-(2H-tetrazol-5-yl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)Nc3nn[nH]n3)s2)cc1
InChIInChI=1S/C13H12N6O2S/c1-7-10(11(20)15-13-16-18-19-17-13)22-12(14-7)8-3-5-9(21-2)6-4-8/h3-6H,1-2H3,(H2,15,16,17,18,19,20)
InChIKeyDIMOODYCWLRFSC-UHFFFAOYSA-N
MW316.35 g/mol
LogP1.89
Rot. Bonds4

About 2-(4-methoxyphenyl)-4-methyl-N-(2H-tetrazol-5-yl)-1,3-thiazole-5-carboxamide

2-(4-methoxyphenyl)-4-methyl-N-(2H-tetrazol-5-yl)-1,3-thiazole-5-carboxamide (PubChem CID 14772776) has the molecular formula C13H12N6O2S and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-methyl-N-(2H-tetrazol-5-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-methyl-N-(2H-tetrazol-5-yl)-1,3-thiazole-5-carboxamide
PubChem CID14772776
Molecular FormulaC13H12N6O2S
Molecular Weight316.35 g/mol
Exact Mass316.07
IUPAC Name2-(4-methoxyphenyl)-4-methyl-N-(2H-tetrazol-5-yl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)Nc3nn[nH]n3)s2)cc1
InChIInChI=1S/C13H12N6O2S/c1-7-10(11(20)15-13-16-18-19-17-13)22-12(14-7)8-3-5-9(21-2)6-4-8/h3-6H,1-2H3,(H2,15,16,17,18,19,20)
InChIKeyDIMOODYCWLRFSC-UHFFFAOYSA-N
XLogP1.89
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(4-methoxyphenyl)-4-methyl-N-(2H-tetrazol-5-yl)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91822345
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427094
2-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 9043782
2-(4-methoxyphenyl)-4-methyl-N-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 35035442
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9400718
N-(2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 9045199
2-(4-methoxyphenyl)-4-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 24667908
3,4-dimethoxy-5-methyl-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide
CID 14154240
2-(4-methoxyphenyl)-4-methyl-N-phenylmethoxy-1,3-thiazole-5-carboxamide
CID 18139180
2-(4-methoxyphenyl)-4-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 9456699
2-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16562673
6-(4-chlorophenyl)-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 12784865

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-methyl-N-(2H-tetrazol-5-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-4-methyl-N-(2H-tetrazol-5-yl)-1,3-thiazole-5-carboxamide (CID 14772776) is 2-(4-methoxyphenyl)-4-methyl-N-(2H-tetrazol-5-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-methyl-N-(2H-tetrazol-5-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-4-methyl-N-(2H-tetrazol-5-yl)-1,3-thiazole-5-carboxamide is COc1ccc(-c2nc(C)c(C(=O)Nc3nn[nH]n3)s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-methyl-N-(2H-tetrazol-5-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is DIMOODYCWLRFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2S/c1-7-10(11(20)15-13-16-18-19-17-13)22-12(14-7)8-3-5-9(21-2)6-4-8/h3-6H,1-2H3,(H2,15,16,17,18,19,20).
What are the key properties of 2-(4-methoxyphenyl)-4-methyl-N-(2H-tetrazol-5-yl)-1,3-thiazole-5-carboxamide?
2-(4-methoxyphenyl)-4-methyl-N-(2H-tetrazol-5-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 316.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-methyl-N-(2H-tetrazol-5-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 14772776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).