2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide

C13H12N6OS — CID 136579582

IUPAC2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cccc(-n3nnnc3C)c2)s1
InChIInChI=1S/C13H12N6OS/c1-8-16-17-18-19(8)11-5-3-4-10(6-11)15-13(20)12-7-14-9(2)21-12/h3-7H,1-2H3,(H,15,20)
InChIKeyBTAABKROCMGHOF-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.99
Rot. Bonds3

About 2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide

2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 136579582) has the molecular formula C13H12N6OS and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID136579582
Molecular FormulaC13H12N6OS
Molecular Weight300.35 g/mol
Exact Mass300.08
IUPAC Name2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cccc(-n3nnnc3C)c2)s1
InChIInChI=1S/C13H12N6OS/c1-8-16-17-18-19(8)11-5-3-4-10(6-11)15-13(20)12-7-14-9(2)21-12/h3-7H,1-2H3,(H,15,20)
InChIKeyBTAABKROCMGHOF-UHFFFAOYSA-N
XLogP1.99
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 18717027
5-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 136579121
N-[3-(5-methyltetrazol-1-yl)phenyl]quinoxaline-6-carboxamide
CID 131894718
N-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110862859
[3-(5-methyltetrazol-1-yl)phenyl]thiourea
CID 169356763
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide
CID 131889333
1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
CID 126788978
5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 43701560
2-(4-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 86983157
2-methylsulfanyl-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 47329361
phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate
CID 69112128
(2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 61178099

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide (CID 136579582) is 2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)Nc2cccc(-n3nnnc3C)c2)s1.
What is the InChIKey of 2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is BTAABKROCMGHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS/c1-8-16-17-18-19(8)11-5-3-4-10(6-11)15-13(20)12-7-14-9(2)21-12/h3-7H,1-2H3,(H,15,20).
What are the key properties of 2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide?
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 300.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 136579582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).