5-chloro-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole

C12H12ClNOS — CID 116887988

IUPAC5-chloro-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole
SMILESCCOc1ccc(-c2nc(C)c(Cl)s2)cc1
InChIInChI=1S/C12H12ClNOS/c1-3-15-10-6-4-9(5-7-10)12-14-8(2)11(13)16-12/h4-7H,3H2,1-2H3
InChIKeyRHQPZAOKVXCHST-UHFFFAOYSA-N
MW253.75 g/mol
LogP4.17
Rot. Bonds3

About 5-chloro-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole

5-chloro-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole (PubChem CID 116887988) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is 5-chloro-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole
PubChem CID116887988
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name5-chloro-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole
SMILESCCOc1ccc(-c2nc(C)c(Cl)s2)cc1
InChIInChI=1S/C12H12ClNOS/c1-3-15-10-6-4-9(5-7-10)12-14-8(2)11(13)16-12/h4-7H,3H2,1-2H3
InChIKeyRHQPZAOKVXCHST-UHFFFAOYSA-N
XLogP4.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887536
2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 51172455
2-bromo-5-(4-ethoxyphenyl)-4-methyl-1,3-thiazole
CID 82135118
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 80503622
2-[4-methyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82427117
N-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119625993
3-[[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119232512
2-[[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119200059
[4-tert-butyl-2-(4-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82439217
[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110888004
2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole
CID 146253203

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-chloro-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole (CID 116887988) is 5-chloro-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-chloro-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole is CCOc1ccc(-c2nc(C)c(Cl)s2)cc1.
What is the InChIKey of 5-chloro-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole?
The InChIKey is RHQPZAOKVXCHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS/c1-3-15-10-6-4-9(5-7-10)12-14-8(2)11(13)16-12/h4-7H,3H2,1-2H3.
What are the key properties of 5-chloro-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole?
5-chloro-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole has a molecular weight of 253.75 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 116887988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).