(3-methylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone

C12H11NOS — CID 105079306

IUPAC(3-methylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1cccc(C(=O)c2csc(C)n2)c1
InChIInChI=1S/C12H11NOS/c1-8-4-3-5-10(6-8)12(14)11-7-15-9(2)13-11/h3-7H,1-2H3
InChIKeySMZMEIHJLSWNDI-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.99
Rot. Bonds2

About (3-methylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone

(3-methylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 105079306) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is (3-methylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3-methylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID105079306
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name(3-methylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1cccc(C(=O)c2csc(C)n2)c1
InChIInChI=1S/C12H11NOS/c1-8-4-3-5-10(6-8)12(14)11-7-15-9(2)13-11/h3-7H,1-2H3
InChIKeySMZMEIHJLSWNDI-UHFFFAOYSA-N
XLogP2.99
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 105079830
bis(3-methylphenyl)methanone
CID 17848
(6-bromo-2-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 166910014
(2-methyl-1,3-thiazol-4-yl)-pyrimidin-5-ylmethanone
CID 105085451
(4-ethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 82128688
(3-methylphenyl)-pyrimidin-4-ylmethanone
CID 63989761
(3-methylphenyl)-naphthalen-2-ylmethanone
CID 15552635
(3-methylphenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 38470610
2-[[(3-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380639
(2-methyl-1,3-thiazol-4-yl)-quinolin-5-ylmethanone
CID 105121153
3-methyl-N-[4-(methylamino)-1,3-thiazol-2-yl]benzamide
CID 54068309
3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 17488570

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (3-methylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone (CID 105079306) is (3-methylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3-methylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3-methylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1cccc(C(=O)c2csc(C)n2)c1.
What is the InChIKey of (3-methylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is SMZMEIHJLSWNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-8-4-3-5-10(6-8)12(14)11-7-15-9(2)13-11/h3-7H,1-2H3.
What are the key properties of (3-methylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
(3-methylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 217.29 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 105079306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).