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

C12H12ClNS — CID 58936530

IUPAC2-(4-chlorophenyl)-5-ethyl-4-methyl-1,3-thiazole
SMILESCCc1sc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C12H12ClNS/c1-3-11-8(2)14-12(15-11)9-4-6-10(13)7-5-9/h4-7H,3H2,1-2H3
InChIKeyOMGFDQSKYWLCPO-UHFFFAOYSA-N
MW237.76 g/mol
LogP4.33
Rot. Bonds2

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

2-(4-chlorophenyl)-5-ethyl-4-methyl-1,3-thiazole (PubChem CID 58936530) has the molecular formula C12H12ClNS and a molecular weight of 237.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-ethyl-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-ethyl-4-methyl-1,3-thiazole
PubChem CID58936530
Molecular FormulaC12H12ClNS
Molecular Weight237.76 g/mol
Exact Mass237.04
IUPAC Name2-(4-chlorophenyl)-5-ethyl-4-methyl-1,3-thiazole
SMILESCCc1sc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C12H12ClNS/c1-3-11-8(2)14-12(15-11)9-4-6-10(13)7-5-9/h4-7H,3H2,1-2H3
InChIKeyOMGFDQSKYWLCPO-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

[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 82044101
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl formate
CID 90369311
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-ethylbenzenesulfonamide
CID 20965733
N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]hexanamide
CID 5221499
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropanamide
CID 7518028
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-ethoxyacetamide
CID 7518024
4-benzyl-5-butyl-2-(4-chlorophenyl)-1,3-thiazole
CID 46862434
2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine
CID 116884586
[2-(4-ethylsulfanylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 116836394
(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 6923600
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 7518001
5-(2-chloroethyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 82088854

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-ethyl-4-methyl-1,3-thiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-ethyl-4-methyl-1,3-thiazole (CID 58936530) is 2-(4-chlorophenyl)-5-ethyl-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-ethyl-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-ethyl-4-methyl-1,3-thiazole is CCc1sc(-c2ccc(Cl)cc2)nc1C.
What is the InChIKey of 2-(4-chlorophenyl)-5-ethyl-4-methyl-1,3-thiazole?
The InChIKey is OMGFDQSKYWLCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNS/c1-3-11-8(2)14-12(15-11)9-4-6-10(13)7-5-9/h4-7H,3H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-5-ethyl-4-methyl-1,3-thiazole?
2-(4-chlorophenyl)-5-ethyl-4-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 2-(4-chlorophenyl)-5-ethyl-4-methyl-1,3-thiazole is sourced from PubChem (CID 58936530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).