3-[2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]prop-1-en-2-ol

C13H9ClF3NOS — CID 89024193

IUPAC3-[2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]prop-1-en-2-ol
SMILESC=C(O)Cc1csc(-c2ccc(Cl)c(C(F)(F)F)c2)n1
InChIInChI=1S/C13H9ClF3NOS/c1-7(19)4-9-6-20-12(18-9)8-2-3-11(14)10(5-8)13(15,16)17/h2-3,5-6,19H,1,4H2
InChIKeySOGSHJUNMITPPO-UHFFFAOYSA-N
MW319.74 g/mol
LogP5.10
Rot. Bonds3

About 3-[2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]prop-1-en-2-ol

3-[2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]prop-1-en-2-ol (PubChem CID 89024193) has the molecular formula C13H9ClF3NOS and a molecular weight of 319.74 g/mol. Its IUPAC name is 3-[2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]prop-1-en-2-ol.

Molecular Properties

Compound Name3-[2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]prop-1-en-2-ol
PubChem CID89024193
Molecular FormulaC13H9ClF3NOS
Molecular Weight319.74 g/mol
Exact Mass319.00
IUPAC Name3-[2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]prop-1-en-2-ol
SMILESC=C(O)Cc1csc(-c2ccc(Cl)c(C(F)(F)F)c2)n1
InChIInChI=1S/C13H9ClF3NOS/c1-7(19)4-9-6-20-12(18-9)8-2-3-11(14)10(5-8)13(15,16)17/h2-3,5-6,19H,1,4H2
InChIKeySOGSHJUNMITPPO-UHFFFAOYSA-N
XLogP5.10
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.74
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[5-[4-chloro-3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanol
CID 146438032
4-ethyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 122488012
1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene
CID 118805005
1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one
CID 153182995
N-(2,5-dichlorophenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31701113
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27667849
2-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 106817926
2-[5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-3-yl]-1-pyrrolidin-1-ylethanone
CID 129219138
N-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 43054605
2-amino-5-[4-chloro-3-(trifluoromethyl)phenyl]benzoic acid
CID 23005098
2-[[2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 59802435
2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 43658690

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]prop-1-en-2-ol?
The IUPAC name of 3-[2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]prop-1-en-2-ol (CID 89024193) is 3-[2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]prop-1-en-2-ol.
What is the SMILES notation for 3-[2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]prop-1-en-2-ol?
The canonical SMILES for 3-[2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]prop-1-en-2-ol is C=C(O)Cc1csc(-c2ccc(Cl)c(C(F)(F)F)c2)n1.
What is the InChIKey of 3-[2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]prop-1-en-2-ol?
The InChIKey is SOGSHJUNMITPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NOS/c1-7(19)4-9-6-20-12(18-9)8-2-3-11(14)10(5-8)13(15,16)17/h2-3,5-6,19H,1,4H2.
What are the key properties of 3-[2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]prop-1-en-2-ol?
3-[2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]prop-1-en-2-ol has a molecular weight of 319.74 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]prop-1-en-2-ol is sourced from PubChem (CID 89024193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).