4-(2-methyl-1,3-benzothiazol-5-yl)benzamide

C15H12N2OS — CID 155495503

IUPAC4-(2-methyl-1,3-benzothiazol-5-yl)benzamide
SMILESCc1nc2cc(-c3ccc(C(N)=O)cc3)ccc2s1
InChIInChI=1S/C15H12N2OS/c1-9-17-13-8-12(6-7-14(13)19-9)10-2-4-11(5-3-10)15(16)18/h2-8H,1H3,(H2,16,18)
InChIKeyUNENZFWVLIIECV-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.37
Rot. Bonds2

About 4-(2-methyl-1,3-benzothiazol-5-yl)benzamide

4-(2-methyl-1,3-benzothiazol-5-yl)benzamide (PubChem CID 155495503) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-(2-methyl-1,3-benzothiazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(2-methyl-1,3-benzothiazol-5-yl)benzamide
PubChem CID155495503
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name4-(2-methyl-1,3-benzothiazol-5-yl)benzamide
SMILESCc1nc2cc(-c3ccc(C(N)=O)cc3)ccc2s1
InChIInChI=1S/C15H12N2OS/c1-9-17-13-8-12(6-7-14(13)19-9)10-2-4-11(5-3-10)15(16)18/h2-8H,1H3,(H2,16,18)
InChIKeyUNENZFWVLIIECV-UHFFFAOYSA-N
XLogP3.37
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methyl-1,3-benzothiazol-5-yl)aniline
CID 59283005
2-methyl-1,3-benzothiazole-5-carbonyl chloride
CID 45077000
1-[4-(2-methyl-1,3-benzothiazol-5-yl)phenyl]ethanol
CID 155495690
2-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-4,6-diamine
CID 21101301
2-methyl-4-(2-methyl-1,3-benzothiazol-5-yl)phenol
CID 155918906
5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole
CID 143753373
5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine
CID 155505909
4-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine
CID 155910195
3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide
CID 70652343
2-(2-methyl-1,3-benzothiazol-5-yl)guanidine
CID 18697929
propan-2-yl 2-methyl-1,3-benzothiazole-5-carboxylate
CID 135395328
2-methyl-1,3-benzothiazole;urea
CID 161197769

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-benzothiazol-5-yl)benzamide?
The IUPAC name of 4-(2-methyl-1,3-benzothiazol-5-yl)benzamide (CID 155495503) is 4-(2-methyl-1,3-benzothiazol-5-yl)benzamide.
What is the SMILES notation for 4-(2-methyl-1,3-benzothiazol-5-yl)benzamide?
The canonical SMILES for 4-(2-methyl-1,3-benzothiazol-5-yl)benzamide is Cc1nc2cc(-c3ccc(C(N)=O)cc3)ccc2s1.
What is the InChIKey of 4-(2-methyl-1,3-benzothiazol-5-yl)benzamide?
The InChIKey is UNENZFWVLIIECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-9-17-13-8-12(6-7-14(13)19-9)10-2-4-11(5-3-10)15(16)18/h2-8H,1H3,(H2,16,18).
What are the key properties of 4-(2-methyl-1,3-benzothiazol-5-yl)benzamide?
4-(2-methyl-1,3-benzothiazol-5-yl)benzamide has a molecular weight of 268.34 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-benzothiazol-5-yl)benzamide is sourced from PubChem (CID 155495503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).