[2-chloro-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol

C11H7ClF3NOS — CID 131866706

IUPAC[2-chloro-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Cl)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H7ClF3NOS/c12-10-16-9(8(5-17)18-10)6-1-3-7(4-2-6)11(13,14)15/h1-4,17H,5H2
InChIKeyKAMHBLWNRYDNHD-UHFFFAOYSA-N
MW293.70 g/mol
LogP3.97
Rot. Bonds2

About [2-chloro-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol

[2-chloro-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol (PubChem CID 131866706) has the molecular formula C11H7ClF3NOS and a molecular weight of 293.70 g/mol. Its IUPAC name is [2-chloro-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-chloro-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
PubChem CID131866706
Molecular FormulaC11H7ClF3NOS
Molecular Weight293.70 g/mol
Exact Mass292.99
IUPAC Name[2-chloro-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Cl)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H7ClF3NOS/c12-10-16-9(8(5-17)18-10)6-1-3-7(4-2-6)11(13,14)15/h1-4,17H,5H2
InChIKeyKAMHBLWNRYDNHD-UHFFFAOYSA-N
XLogP3.97
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.70
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134625763
methyl 4-[5-(hydroxymethyl)-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazol-4-yl]benzoate
CID 163208106
[2-bromo-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanol
CID 131867651
[4-(4-tert-butylphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol
CID 131867614
[5-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methanol
CID 70981004
[2-chloro-4-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 131866725
2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid
CID 154363492
[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
CID 22221056
2-(chloromethyl)-5-[4-(trifluoromethyl)phenyl]thiophene;[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methanol
CID 158014207
3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
CID 23614487
4-chloro-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole
CID 57070349
4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde;[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
CID 157056906

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-chloro-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol (CID 131866706) is [2-chloro-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-chloro-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-chloro-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol is OCc1sc(Cl)nc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-chloro-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol?
The InChIKey is KAMHBLWNRYDNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3NOS/c12-10-16-9(8(5-17)18-10)6-1-3-7(4-2-6)11(13,14)15/h1-4,17H,5H2.
What are the key properties of [2-chloro-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol?
[2-chloro-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol has a molecular weight of 293.70 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 131866706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).