5-(2-chlorophenyl)-4-ethyl-2-methyl-1,3-thiazole

C12H12ClNS — CID 163581067

IUPAC5-(2-chlorophenyl)-4-ethyl-2-methyl-1,3-thiazole
SMILESCCc1nc(C)sc1-c1ccccc1Cl
InChIInChI=1S/C12H12ClNS/c1-3-11-12(15-8(2)14-11)9-6-4-5-7-10(9)13/h4-7H,3H2,1-2H3
InChIKeyGHOVVGSKOXWVKP-UHFFFAOYSA-N
MW237.76 g/mol
LogP4.33
Rot. Bonds2

About 5-(2-chlorophenyl)-4-ethyl-2-methyl-1,3-thiazole

5-(2-chlorophenyl)-4-ethyl-2-methyl-1,3-thiazole (PubChem CID 163581067) has the molecular formula C12H12ClNS and a molecular weight of 237.76 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-4-ethyl-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-4-ethyl-2-methyl-1,3-thiazole
PubChem CID163581067
Molecular FormulaC12H12ClNS
Molecular Weight237.76 g/mol
Exact Mass237.04
IUPAC Name5-(2-chlorophenyl)-4-ethyl-2-methyl-1,3-thiazole
SMILESCCc1nc(C)sc1-c1ccccc1Cl
InChIInChI=1S/C12H12ClNS/c1-3-11-12(15-8(2)14-11)9-6-4-5-7-10(9)13/h4-7H,3H2,1-2H3
InChIKeyGHOVVGSKOXWVKP-UHFFFAOYSA-N
XLogP4.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.76
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 22437391
4-(2-chlorophenyl)-2,5-dimethyl-1,3-thiazole
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4-ethyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole
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4-ethyl-2-methyl-5-(4-propan-2-ylphenyl)-1,3-thiazole
CID 70862177
2-(2-chlorophenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 63560185
4-(2-chlorophenyl)-2-methyl-1,3-thiazol-5-amine
CID 62082381
5-(2-chlorophenyl)-6-ethylpyridin-2-amine
CID 155778431
3-(2-chlorophenyl)-2-ethylpyridine
CID 118357808
2-methyl-5-phenyl-4-propyl-1,3-thiazole
CID 90764041
2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine
CID 71072779
[4-(2-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]methanol
CID 105498426
5-(2-chlorophenyl)-2,4-dimethyl-1,3-benzothiazole
CID 174756627

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-4-ethyl-2-methyl-1,3-thiazole?
The IUPAC name of 5-(2-chlorophenyl)-4-ethyl-2-methyl-1,3-thiazole (CID 163581067) is 5-(2-chlorophenyl)-4-ethyl-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-(2-chlorophenyl)-4-ethyl-2-methyl-1,3-thiazole?
The canonical SMILES for 5-(2-chlorophenyl)-4-ethyl-2-methyl-1,3-thiazole is CCc1nc(C)sc1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-4-ethyl-2-methyl-1,3-thiazole?
The InChIKey is GHOVVGSKOXWVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNS/c1-3-11-12(15-8(2)14-11)9-6-4-5-7-10(9)13/h4-7H,3H2,1-2H3.
What are the key properties of 5-(2-chlorophenyl)-4-ethyl-2-methyl-1,3-thiazole?
5-(2-chlorophenyl)-4-ethyl-2-methyl-1,3-thiazole has a molecular weight of 237.76 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-4-ethyl-2-methyl-1,3-thiazole is sourced from PubChem (CID 163581067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).