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

C16H19ClFNO2S — CID 167489213

IUPAC2-chloro-4-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole
SMILESCOCCOc1cc(-c2nc(Cl)sc2CC(C)C)ccc1F
InChIInChI=1S/C16H19ClFNO2S/c1-10(2)8-14-15(19-16(17)22-14)11-4-5-12(18)13(9-11)21-7-6-20-3/h4-5,9-10H,6-8H2,1-3H3
InChIKeyPAWRIOSQVJVWAO-UHFFFAOYSA-N
MW343.85 g/mol
LogP4.83
Rot. Bonds7

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

2-chloro-4-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole (PubChem CID 167489213) has the molecular formula C16H19ClFNO2S and a molecular weight of 343.85 g/mol. Its IUPAC name is 2-chloro-4-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole
PubChem CID167489213
Molecular FormulaC16H19ClFNO2S
Molecular Weight343.85 g/mol
Exact Mass343.08
IUPAC Name2-chloro-4-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole
SMILESCOCCOc1cc(-c2nc(Cl)sc2CC(C)C)ccc1F
InChIInChI=1S/C16H19ClFNO2S/c1-10(2)8-14-15(19-16(17)22-14)11-4-5-12(18)13(9-11)21-7-6-20-3/h4-5,9-10H,6-8H2,1-3H3
InChIKeyPAWRIOSQVJVWAO-UHFFFAOYSA-N
XLogP4.83
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 54.83
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-propan-2-yloxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole
CID 167489206
2-chloro-4-[4-chloro-3-(2-methoxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole
CID 167489349
2-chloro-4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazole
CID 167489101
2-chloro-4-[3-fluoro-4-(2-methoxyethoxy)phenyl]-5-propyl-1,3-thiazole
CID 167489516
2-[2-[3-[2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]phenoxy]ethoxy]-N,N-dimethylethanamine
CID 167489558
2-chloro-5-(2-methylpropyl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;ethane
CID 167489217
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
2-bromo-4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole
CID 167489254
2-[[4-(3-ethoxy-4-fluorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 167489216
5-[3-fluoro-4-(2-methoxyethoxy)phenyl]-2H-triazolo[4,5-b]pyridine
CID 141320437
2-bromo-5-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]benzoic acid
CID 156849580

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of 2-chloro-4-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole (CID 167489213) is 2-chloro-4-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-4-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole is COCCOc1cc(-c2nc(Cl)sc2CC(C)C)ccc1F.
What is the InChIKey of 2-chloro-4-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole?
The InChIKey is PAWRIOSQVJVWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO2S/c1-10(2)8-14-15(19-16(17)22-14)11-4-5-12(18)13(9-11)21-7-6-20-3/h4-5,9-10H,6-8H2,1-3H3.
What are the key properties of 2-chloro-4-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole?
2-chloro-4-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole has a molecular weight of 343.85 g/mol, XLogP of 4.83, 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-fluoro-3-(2-methoxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 167489213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).