2-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide

C17H16N2OS — CID 70149287

IUPAC2-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCc1cc(C)c(-c2nc3ccc(C(N)=O)cc3s2)c(C)c1
InChIInChI=1S/C17H16N2OS/c1-9-6-10(2)15(11(3)7-9)17-19-13-5-4-12(16(18)20)8-14(13)21-17/h4-8H,1-3H3,(H2,18,20)
InChIKeyPEMGMUHBQFNWKR-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.99
Rot. Bonds2

About 2-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide

2-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 70149287) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID70149287
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name2-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCc1cc(C)c(-c2nc3ccc(C(N)=O)cc3s2)c(C)c1
InChIInChI=1S/C17H16N2OS/c1-9-6-10(2)15(11(3)7-9)17-19-13-5-4-12(16(18)20)8-14(13)21-17/h4-8H,1-3H3,(H2,18,20)
InChIKeyPEMGMUHBQFNWKR-UHFFFAOYSA-N
XLogP3.99
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470389
2-acetamido-1,3-benzothiazole-6-carboxamide
CID 816956
2-(2,6-difluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470349
2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470209
2-(3-chloro-4-methylphenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470328
4-(1,3-benzothiazol-2-yl)benzamide
CID 28689293
ethyl 2-pyridin-4-yl-1,3-benzothiazole-6-carboxylate
CID 95909727
2-[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]acetic acid
CID 39105357
2-methyl-1-benzothiophene-6-carboxamide
CID 142924497
2-(2-fluoro-6-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470295
2-(6-methyl-1,3-benzothiazol-2-yl)benzene-1,3-diol
CID 136813339
2-(4-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 25233597

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide (CID 70149287) is 2-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide is Cc1cc(C)c(-c2nc3ccc(C(N)=O)cc3s2)c(C)c1.
What is the InChIKey of 2-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is PEMGMUHBQFNWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-9-6-10(2)15(11(3)7-9)17-19-13-5-4-12(16(18)20)8-14(13)21-17/h4-8H,1-3H3,(H2,18,20).
What are the key properties of 2-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide?
2-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 296.40 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 70149287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).