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

C18H23ClFNO2S — CID 167489206

IUPAC2-chloro-4-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)Cc1sc(Cl)nc1-c1ccc(F)c(OCCOC(C)C)c1
InChIInChI=1S/C18H23ClFNO2S/c1-11(2)9-16-17(21-18(19)24-16)13-5-6-14(20)15(10-13)23-8-7-22-12(3)4/h5-6,10-12H,7-9H2,1-4H3
InChIKeyMCIRYSVEXHBROB-UHFFFAOYSA-N
MW371.91 g/mol
LogP5.60
Rot. Bonds8

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

2-chloro-4-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole (PubChem CID 167489206) has the molecular formula C18H23ClFNO2S and a molecular weight of 371.91 g/mol. Its IUPAC name is 2-chloro-4-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole
PubChem CID167489206
Molecular FormulaC18H23ClFNO2S
Molecular Weight371.91 g/mol
Exact Mass371.11
IUPAC Name2-chloro-4-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)Cc1sc(Cl)nc1-c1ccc(F)c(OCCOC(C)C)c1
InChIInChI=1S/C18H23ClFNO2S/c1-11(2)9-16-17(21-18(19)24-16)13-5-6-14(20)15(10-13)23-8-7-22-12(3)4/h5-6,10-12H,7-9H2,1-4H3
InChIKeyMCIRYSVEXHBROB-UHFFFAOYSA-N
XLogP5.60
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.91
LogP ≤ 55.60
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-[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
trifluoro-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]boranuide
CID 114675006
2-bromo-4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole
CID 167489254
(1S)-1-[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol
CID 63364452
4-[4-amino-3-(2-propan-2-yloxyethoxy)phenyl]-2-(2-propan-2-yloxyethoxy)aniline
CID 139768521
2-chloro-4-(4-chlorophenyl)-5-propoxy-1,3-thiazole
CID 174418105
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-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 61485306

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of 2-chloro-4-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole (CID 167489206) is 2-chloro-4-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-4-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole is CC(C)Cc1sc(Cl)nc1-c1ccc(F)c(OCCOC(C)C)c1.
What is the InChIKey of 2-chloro-4-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole?
The InChIKey is MCIRYSVEXHBROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClFNO2S/c1-11(2)9-16-17(21-18(19)24-16)13-5-6-14(20)15(10-13)23-8-7-22-12(3)4/h5-6,10-12H,7-9H2,1-4H3.
What are the key properties of 2-chloro-4-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole?
2-chloro-4-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole has a molecular weight of 371.91 g/mol, XLogP of 5.60, 8 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-propan-2-yloxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 167489206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).