2-chloro-4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazole

C17H19ClF3NO2S — CID 167489101

IUPAC2-chloro-4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazole
SMILESCOCCOc1ccc(-c2nc(Cl)sc2CC(C)C)cc1C(F)(F)F
InChIInChI=1S/C17H19ClF3NO2S/c1-10(2)8-14-15(22-16(18)25-14)11-4-5-13(24-7-6-23-3)12(9-11)17(19,20)21/h4-5,9-10H,6-8H2,1-3H3
InChIKeyVAIYUIQCRNDLPT-UHFFFAOYSA-N
MW393.86 g/mol
LogP5.71
Rot. Bonds7

About 2-chloro-4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazole

2-chloro-4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazole (PubChem CID 167489101) has the molecular formula C17H19ClF3NO2S and a molecular weight of 393.86 g/mol. Its IUPAC name is 2-chloro-4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazole
PubChem CID167489101
Molecular FormulaC17H19ClF3NO2S
Molecular Weight393.86 g/mol
Exact Mass393.08
IUPAC Name2-chloro-4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazole
SMILESCOCCOc1ccc(-c2nc(Cl)sc2CC(C)C)cc1C(F)(F)F
InChIInChI=1S/C17H19ClF3NO2S/c1-10(2)8-14-15(22-16(18)25-14)11-4-5-13(24-7-6-23-3)12(9-11)17(19,20)21/h4-5,9-10H,6-8H2,1-3H3
InChIKeyVAIYUIQCRNDLPT-UHFFFAOYSA-N
XLogP5.71
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.86
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole
CID 167489213
2-chloro-4-[4-chloro-3-(2-methoxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole
CID 167489349
2-chloro-4-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole
CID 167489206
2-chloro-4-[3-fluoro-4-(2-methoxyethoxy)phenyl]-5-propyl-1,3-thiazole
CID 167489516
2-bromo-4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole
CID 167489254
2-[2-[3-[2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]phenoxy]ethoxy]-N,N-dimethylethanamine
CID 167489558
ethane;N-[4-[3-hydroxy-4-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide
CID 167489119
2-chloro-5-(2-methylpropyl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;ethane
CID 167489217
4-(2-methoxyethoxy)-3-(trifluoromethyl)phenol
CID 166611038
2-[[4-[3-fluoro-4-(2-methoxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-3-ylpyridine-3-carboxylic acid
CID 168739559
2-[[4-[4-chloro-3-(2-methoxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 167489081
(6S)-5-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 154663829

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of 2-chloro-4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazole (CID 167489101) is 2-chloro-4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazole is COCCOc1ccc(-c2nc(Cl)sc2CC(C)C)cc1C(F)(F)F.
What is the InChIKey of 2-chloro-4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazole?
The InChIKey is VAIYUIQCRNDLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClF3NO2S/c1-10(2)8-14-15(22-16(18)25-14)11-4-5-13(24-7-6-23-3)12(9-11)17(19,20)21/h4-5,9-10H,6-8H2,1-3H3.
What are the key properties of 2-chloro-4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazole?
2-chloro-4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazole has a molecular weight of 393.86 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 167489101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).