2-[8-chloro-7-(trifluoromethoxy)quinolin-2-yl]-4-propan-2-yl-1,3-thiazole

C16H12ClF3N2OS — CID 143934374

IUPAC2-[8-chloro-7-(trifluoromethoxy)quinolin-2-yl]-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(-c2ccc3ccc(OC(F)(F)F)c(Cl)c3n2)n1
InChIInChI=1S/C16H12ClF3N2OS/c1-8(2)11-7-24-15(22-11)10-5-3-9-4-6-12(23-16(18,19)20)13(17)14(9)21-10/h3-8H,1-2H3
InChIKeyAMHHIHLJSMIAML-UHFFFAOYSA-N
MW372.80 g/mol
LogP6.03
Rot. Bonds3

About 2-[8-chloro-7-(trifluoromethoxy)quinolin-2-yl]-4-propan-2-yl-1,3-thiazole

2-[8-chloro-7-(trifluoromethoxy)quinolin-2-yl]-4-propan-2-yl-1,3-thiazole (PubChem CID 143934374) has the molecular formula C16H12ClF3N2OS and a molecular weight of 372.80 g/mol. Its IUPAC name is 2-[8-chloro-7-(trifluoromethoxy)quinolin-2-yl]-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[8-chloro-7-(trifluoromethoxy)quinolin-2-yl]-4-propan-2-yl-1,3-thiazole
PubChem CID143934374
Molecular FormulaC16H12ClF3N2OS
Molecular Weight372.80 g/mol
Exact Mass372.03
IUPAC Name2-[8-chloro-7-(trifluoromethoxy)quinolin-2-yl]-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(-c2ccc3ccc(OC(F)(F)F)c(Cl)c3n2)n1
InChIInChI=1S/C16H12ClF3N2OS/c1-8(2)11-7-24-15(22-11)10-5-3-9-4-6-12(23-16(18,19)20)13(17)14(9)21-10/h3-8H,1-2H3
InChIKeyAMHHIHLJSMIAML-UHFFFAOYSA-N
XLogP6.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.80
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[8-(difluoromethoxy)-4,6-dimethylquinolin-2-yl]-4-propan-2-yl-1,3-thiazole
CID 70249473
ethane;4-propan-2-yl-2-(4,7,8-trimethylquinolin-2-yl)-1,3-thiazole
CID 143401581
but-1-ene;2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-propan-2-yl-1,3-thiazole
CID 143897716
2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole
CID 20664385
(4-propan-2-yl-1,3-thiazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 61330086
2-(3-chloro-4-methylphenyl)-4-propan-2-yl-1,3-thiazole
CID 165458129
7-chloro-6-(trifluoromethoxy)-1,3-benzothiazole
CID 165175793
2-(4-iodophenyl)-4-propan-2-yl-1,3-thiazole
CID 21355336
2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline
CID 82152397
2-tert-butyl-4-propan-2-yl-1,3-thiazole
CID 22975254
4-chloro-5-(trifluoromethoxy)-1-benzothiophene
CID 91236608
5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carbaldehyde
CID 165458826

Frequently Asked Questions

What is the IUPAC name of 2-[8-chloro-7-(trifluoromethoxy)quinolin-2-yl]-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-[8-chloro-7-(trifluoromethoxy)quinolin-2-yl]-4-propan-2-yl-1,3-thiazole (CID 143934374) is 2-[8-chloro-7-(trifluoromethoxy)quinolin-2-yl]-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[8-chloro-7-(trifluoromethoxy)quinolin-2-yl]-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-[8-chloro-7-(trifluoromethoxy)quinolin-2-yl]-4-propan-2-yl-1,3-thiazole is CC(C)c1csc(-c2ccc3ccc(OC(F)(F)F)c(Cl)c3n2)n1.
What is the InChIKey of 2-[8-chloro-7-(trifluoromethoxy)quinolin-2-yl]-4-propan-2-yl-1,3-thiazole?
The InChIKey is AMHHIHLJSMIAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2OS/c1-8(2)11-7-24-15(22-11)10-5-3-9-4-6-12(23-16(18,19)20)13(17)14(9)21-10/h3-8H,1-2H3.
What are the key properties of 2-[8-chloro-7-(trifluoromethoxy)quinolin-2-yl]-4-propan-2-yl-1,3-thiazole?
2-[8-chloro-7-(trifluoromethoxy)quinolin-2-yl]-4-propan-2-yl-1,3-thiazole has a molecular weight of 372.80 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-chloro-7-(trifluoromethoxy)quinolin-2-yl]-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 143934374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).