1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-ol

C9H12F3NOS — CID 106784203

IUPAC1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-ol
SMILESCCC(O)CCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H12F3NOS/c1-2-6(14)3-4-7-5-13-8(15-7)9(10,11)12/h5-6,14H,2-4H2,1H3
InChIKeyNHAAOPWJNMEWDI-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.87
Rot. Bonds4

About 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-ol

1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-ol (PubChem CID 106784203) has the molecular formula C9H12F3NOS and a molecular weight of 239.26 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-ol.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-ol
PubChem CID106784203
Molecular FormulaC9H12F3NOS
Molecular Weight239.26 g/mol
Exact Mass239.06
IUPAC Name1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-ol
SMILESCCC(O)CCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H12F3NOS/c1-2-6(14)3-4-7-5-13-8(15-7)9(10,11)12/h5-6,14H,2-4H2,1H3
InChIKeyNHAAOPWJNMEWDI-UHFFFAOYSA-N
XLogP2.87
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chlorobutyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784217
3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoic acid
CID 106784034
N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine
CID 106784073
N-methyl-1-phenyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106784172
ethyl 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate
CID 106784039
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol
CID 106782928
5-(chloromethyl)-2-(trifluoromethyl)-1,3-thiazole
CID 15171128
N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 112639666
2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetaldehyde
CID 106784054
2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanal
CID 106784126
2-butan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106782771
3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
CID 106782108

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-ol?
The IUPAC name of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-ol (CID 106784203) is 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-ol.
What is the SMILES notation for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-ol?
The canonical SMILES for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-ol is CCC(O)CCc1cnc(C(F)(F)F)s1.
What is the InChIKey of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-ol?
The InChIKey is NHAAOPWJNMEWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NOS/c1-2-6(14)3-4-7-5-13-8(15-7)9(10,11)12/h5-6,14H,2-4H2,1H3.
What are the key properties of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-ol?
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-ol has a molecular weight of 239.26 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-ol is sourced from PubChem (CID 106784203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).