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

C13H13NOS — CID 82128688

IUPAC(4-ethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCCc1ccc(C(=O)c2csc(C)n2)cc1
InChIInChI=1S/C13H13NOS/c1-3-10-4-6-11(7-5-10)13(15)12-8-16-9(2)14-12/h4-8H,3H2,1-2H3
InChIKeyYFPMMYSRZKRDHD-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.24
Rot. Bonds3

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

(4-ethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 82128688) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is (4-ethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID82128688
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name(4-ethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCCc1ccc(C(=O)c2csc(C)n2)cc1
InChIInChI=1S/C13H13NOS/c1-3-10-4-6-11(7-5-10)13(15)12-8-16-9(2)14-12/h4-8H,3H2,1-2H3
InChIKeyYFPMMYSRZKRDHD-UHFFFAOYSA-N
XLogP3.24
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.24
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
(2-methyl-1,3-thiazol-4-yl)-pyrimidin-5-ylmethanone
CID 105085451
(3-methylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 105079306
methyl 5-(2-methyl-1,3-thiazole-4-carbonyl)furan-2-carboxylate
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(2-amino-1,3-thiazol-4-yl)-(4-butylphenyl)methanone
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4-(4-ethylphenyl)-2-methyl-1,3-thiazole
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1-(4-ethylphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-1-one
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(2-amino-1,3-thiazol-4-yl)-(4-methylphenyl)methanone
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2-(4-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105078985
(2-methyl-1,3-thiazol-4-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
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4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (4-ethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone (CID 82128688) is (4-ethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (4-ethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (4-ethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone is CCc1ccc(C(=O)c2csc(C)n2)cc1.
What is the InChIKey of (4-ethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is YFPMMYSRZKRDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-3-10-4-6-11(7-5-10)13(15)12-8-16-9(2)14-12/h4-8H,3H2,1-2H3.
What are the key properties of (4-ethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
(4-ethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 231.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 82128688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).