(6-methyl-1,3-benzothiazol-2-yl)-phenylmethanone

C15H11NOS — CID 83393015

IUPAC(6-methyl-1,3-benzothiazol-2-yl)-phenylmethanone
SMILESCc1ccc2nc(C(=O)c3ccccc3)sc2c1
InChIInChI=1S/C15H11NOS/c1-10-7-8-12-13(9-10)18-15(16-12)14(17)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyCWXJZSXREBHQEB-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.84
Rot. Bonds2

About (6-methyl-1,3-benzothiazol-2-yl)-phenylmethanone

(6-methyl-1,3-benzothiazol-2-yl)-phenylmethanone (PubChem CID 83393015) has the molecular formula C15H11NOS and a molecular weight of 253.33 g/mol. Its IUPAC name is (6-methyl-1,3-benzothiazol-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-methyl-1,3-benzothiazol-2-yl)-phenylmethanone
PubChem CID83393015
Molecular FormulaC15H11NOS
Molecular Weight253.33 g/mol
Exact Mass253.06
IUPAC Name(6-methyl-1,3-benzothiazol-2-yl)-phenylmethanone
SMILESCc1ccc2nc(C(=O)c3ccccc3)sc2c1
InChIInChI=1S/C15H11NOS/c1-10-7-8-12-13(9-10)18-15(16-12)14(17)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyCWXJZSXREBHQEB-UHFFFAOYSA-N
XLogP3.84
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropan-2-one
CID 159883027
N-[4-(1,3-benzothiazole-2-carbonyl)phenyl]acetamide
CID 22887490
[4-(1,3-benzothiazole-2-carbonyl)phenyl] acetate
CID 22373846
2-acetyl-1,3-benzothiazole-6-carboxylic acid
CID 83383444
[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethanone
CID 63524212
6-methyl-2-phenoxy-1,3-benzothiazole
CID 44549864
N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 682912
1-benzyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 42733059
(E)-4-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylphenyl)pent-4-enoic acid
CID 6071778
2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(2,5-dimethylphenyl)ethenyl]sulfanylacetic acid
CID 9035951
2-[methyl-(6-methyl-1,3-benzothiazol-2-yl)amino]acetic acid
CID 56724774
2-[chloro(phenyl)methyl]-6-methyl-1,3-benzothiazole
CID 79142998

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1,3-benzothiazol-2-yl)-phenylmethanone?
The IUPAC name of (6-methyl-1,3-benzothiazol-2-yl)-phenylmethanone (CID 83393015) is (6-methyl-1,3-benzothiazol-2-yl)-phenylmethanone.
What is the SMILES notation for (6-methyl-1,3-benzothiazol-2-yl)-phenylmethanone?
The canonical SMILES for (6-methyl-1,3-benzothiazol-2-yl)-phenylmethanone is Cc1ccc2nc(C(=O)c3ccccc3)sc2c1.
What is the InChIKey of (6-methyl-1,3-benzothiazol-2-yl)-phenylmethanone?
The InChIKey is CWXJZSXREBHQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NOS/c1-10-7-8-12-13(9-10)18-15(16-12)14(17)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of (6-methyl-1,3-benzothiazol-2-yl)-phenylmethanone?
(6-methyl-1,3-benzothiazol-2-yl)-phenylmethanone has a molecular weight of 253.33 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1,3-benzothiazol-2-yl)-phenylmethanone is sourced from PubChem (CID 83393015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).