2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]tetrazole-5-carboxamide

C19H16N6O2S — CID 71791407

IUPAC2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]tetrazole-5-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)Nc3cccc(-c4csc(C)n4)c3)n2)cc1
InChIInChI=1S/C19H16N6O2S/c1-12-20-17(11-28-12)13-4-3-5-14(10-13)21-19(26)18-22-24-25(23-18)15-6-8-16(27-2)9-7-15/h3-11H,1-2H3,(H,21,26)
InChIKeyRTKSBKNPFZCMIL-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.36
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]tetrazole-5-carboxamide

2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]tetrazole-5-carboxamide (PubChem CID 71791407) has the molecular formula C19H16N6O2S and a molecular weight of 392.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]tetrazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]tetrazole-5-carboxamide
PubChem CID71791407
Molecular FormulaC19H16N6O2S
Molecular Weight392.44 g/mol
Exact Mass392.11
IUPAC Name2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]tetrazole-5-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)Nc3cccc(-c4csc(C)n4)c3)n2)cc1
InChIInChI=1S/C19H16N6O2S/c1-12-20-17(11-28-12)13-4-3-5-14(10-13)21-19(26)18-22-24-25(23-18)15-6-8-16(27-2)9-7-15/h3-11H,1-2H3,(H,21,26)
InChIKeyRTKSBKNPFZCMIL-UHFFFAOYSA-N
XLogP3.36
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2,4-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide;ethane
CID 143409150
2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 99582165
2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 852161
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 53307233
2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)tetrazole-5-carboxamide
CID 71791392
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100799018
3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1362516
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 78862634
3-(6-methylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 169412103
2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 87012122
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-2-carboxamide
CID 26312296

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]tetrazole-5-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]tetrazole-5-carboxamide (CID 71791407) is 2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]tetrazole-5-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]tetrazole-5-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]tetrazole-5-carboxamide is COc1ccc(-n2nnc(C(=O)Nc3cccc(-c4csc(C)n4)c3)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]tetrazole-5-carboxamide?
The InChIKey is RTKSBKNPFZCMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S/c1-12-20-17(11-28-12)13-4-3-5-14(10-13)21-19(26)18-22-24-25(23-18)15-6-8-16(27-2)9-7-15/h3-11H,1-2H3,(H,21,26).
What are the key properties of 2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]tetrazole-5-carboxamide?
2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]tetrazole-5-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]tetrazole-5-carboxamide is sourced from PubChem (CID 71791407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).