4-(4-chlorophenyl)-2-[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole

C16H10ClF3N2OS — CID 2746356

IUPAC4-(4-chlorophenyl)-2-[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole
SMILESCOc1cc(C(F)(F)F)c(-c2nc(-c3ccc(Cl)cc3)cs2)cn1
InChIInChI=1S/C16H10ClF3N2OS/c1-23-14-6-12(16(18,19)20)11(7-21-14)15-22-13(8-24-15)9-2-4-10(17)5-3-9/h2-8H,1H3
InChIKeyGIGCQNQEIYLDFJ-UHFFFAOYSA-N
MW370.78 g/mol
LogP5.55
Rot. Bonds3

About 4-(4-chlorophenyl)-2-[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole

4-(4-chlorophenyl)-2-[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole (PubChem CID 2746356) has the molecular formula C16H10ClF3N2OS and a molecular weight of 370.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole
PubChem CID2746356
Molecular FormulaC16H10ClF3N2OS
Molecular Weight370.78 g/mol
Exact Mass370.02
IUPAC Name4-(4-chlorophenyl)-2-[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole
SMILESCOc1cc(C(F)(F)F)c(-c2nc(-c3ccc(Cl)cc3)cs2)cn1
InChIInChI=1S/C16H10ClF3N2OS/c1-23-14-6-12(16(18,19)20)11(7-21-14)15-22-13(8-24-15)9-2-4-10(17)5-3-9/h2-8H,1H3
InChIKeyGIGCQNQEIYLDFJ-UHFFFAOYSA-N
XLogP5.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.78
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole
CID 2746072
2-(4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole
CID 162536924
2-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyridinyl]propan-2-ol
CID 22049722
2-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole
CID 110208677
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline
CID 12621900
2-[5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-chlorophenyl)-1,3-thiazole
CID 2820993
4-(4-chlorophenyl)-2-methoxy-5-methylpyridine
CID 126625290
5-fluoro-2-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine
CID 133089593
2-(2,6-dichloro-4-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole
CID 2798615
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenol
CID 1473815
2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 155943131
2-methoxy-4-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine
CID 134620758

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole (CID 2746356) is 4-(4-chlorophenyl)-2-[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole is COc1cc(C(F)(F)F)c(-c2nc(-c3ccc(Cl)cc3)cs2)cn1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole?
The InChIKey is GIGCQNQEIYLDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2OS/c1-23-14-6-12(16(18,19)20)11(7-21-14)15-22-13(8-24-15)9-2-4-10(17)5-3-9/h2-8H,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole?
4-(4-chlorophenyl)-2-[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole has a molecular weight of 370.78 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 2746356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).