5-[1-(3-chlorophenoxy)propyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C20H17ClF3NOS — CID 141167706

IUPAC5-[1-(3-chlorophenoxy)propyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCCC(Oc1cccc(Cl)c1)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C
InChIInChI=1S/C20H17ClF3NOS/c1-3-17(26-16-6-4-5-15(21)11-16)18-12(2)25-19(27-18)13-7-9-14(10-8-13)20(22,23)24/h4-11,17H,3H2,1-2H3
InChIKeyHDOMZJQCKJALSU-UHFFFAOYSA-N
MW411.88 g/mol
LogP7.32
Rot. Bonds5

About 5-[1-(3-chlorophenoxy)propyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

5-[1-(3-chlorophenoxy)propyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 141167706) has the molecular formula C20H17ClF3NOS and a molecular weight of 411.88 g/mol. Its IUPAC name is 5-[1-(3-chlorophenoxy)propyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[1-(3-chlorophenoxy)propyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID141167706
Molecular FormulaC20H17ClF3NOS
Molecular Weight411.88 g/mol
Exact Mass411.07
IUPAC Name5-[1-(3-chlorophenoxy)propyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCCC(Oc1cccc(Cl)c1)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C
InChIInChI=1S/C20H17ClF3NOS/c1-3-17(26-16-6-4-5-15(21)11-16)18-12(2)25-19(27-18)13-7-9-14(10-8-13)20(22,23)24/h4-11,17H,3H2,1-2H3
InChIKeyHDOMZJQCKJALSU-UHFFFAOYSA-N
XLogP7.32
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.88
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenyl]methanimine
CID 162604993
2-methyl-2-[2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenoxy]propanoic acid
CID 10228377
1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propyl 2-phenylpropanoate
CID 21051239
1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
CID 22647631
(1R)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
CID 58697769
ethyl 2-methyl-2-[2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]but-3-enoxy]phenoxy]propanoate
CID 10302124
3-[2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]phenyl]propanoic acid
CID 10127507
methyl (2S)-2-ethoxy-3-[2-ethyl-4-[(1R)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]phenyl]propanoate
CID 68616442
ethane;1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pentan-1-ol
CID 143433872
4-methyl-5-(1-nitrosoethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 162549290
2-[5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]indol-1-yl]acetic acid
CID 11374583
2-[[4-[cyclopropyl-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-2-methylphenyl]methyl]butanoic acid
CID 22647587

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-chlorophenoxy)propyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 5-[1-(3-chlorophenoxy)propyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 141167706) is 5-[1-(3-chlorophenoxy)propyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 5-[1-(3-chlorophenoxy)propyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 5-[1-(3-chlorophenoxy)propyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is CCC(Oc1cccc(Cl)c1)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C.
What is the InChIKey of 5-[1-(3-chlorophenoxy)propyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is HDOMZJQCKJALSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3NOS/c1-3-17(26-16-6-4-5-15(21)11-16)18-12(2)25-19(27-18)13-7-9-14(10-8-13)20(22,23)24/h4-11,17H,3H2,1-2H3.
What are the key properties of 5-[1-(3-chlorophenoxy)propyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
5-[1-(3-chlorophenoxy)propyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 411.88 g/mol, XLogP of 7.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-chlorophenoxy)propyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 141167706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).