1,1,1-trifluoro-2-(2-propan-2-yl-1,3-thiazol-5-yl)butan-2-ol

C10H14F3NOS — CID 58973043

IUPAC1,1,1-trifluoro-2-(2-propan-2-yl-1,3-thiazol-5-yl)butan-2-ol
SMILESCCC(O)(c1cnc(C(C)C)s1)C(F)(F)F
InChIInChI=1S/C10H14F3NOS/c1-4-9(15,10(11,12)13)7-5-14-8(16-7)6(2)3/h5-6,15H,4H2,1-3H3
InChIKeyDPBNAXURYYSMNA-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.43
Rot. Bonds3

About 1,1,1-trifluoro-2-(2-propan-2-yl-1,3-thiazol-5-yl)butan-2-ol

1,1,1-trifluoro-2-(2-propan-2-yl-1,3-thiazol-5-yl)butan-2-ol (PubChem CID 58973043) has the molecular formula C10H14F3NOS and a molecular weight of 253.29 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(2-propan-2-yl-1,3-thiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(2-propan-2-yl-1,3-thiazol-5-yl)butan-2-ol
PubChem CID58973043
Molecular FormulaC10H14F3NOS
Molecular Weight253.29 g/mol
Exact Mass253.07
IUPAC Name1,1,1-trifluoro-2-(2-propan-2-yl-1,3-thiazol-5-yl)butan-2-ol
SMILESCCC(O)(c1cnc(C(C)C)s1)C(F)(F)F
InChIInChI=1S/C10H14F3NOS/c1-4-9(15,10(11,12)13)7-5-14-8(16-7)6(2)3/h5-6,15H,4H2,1-3H3
InChIKeyDPBNAXURYYSMNA-UHFFFAOYSA-N
XLogP3.43
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-2-(2-propan-2-yl-1,3-thiazol-5-yl)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(2-propan-2-yl-1,3-thiazol-5-yl)butan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(2-propan-2-yl-1,3-thiazol-5-yl)butan-2-ol (CID 58973043) is 1,1,1-trifluoro-2-(2-propan-2-yl-1,3-thiazol-5-yl)butan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(2-propan-2-yl-1,3-thiazol-5-yl)butan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(2-propan-2-yl-1,3-thiazol-5-yl)butan-2-ol is CCC(O)(c1cnc(C(C)C)s1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(2-propan-2-yl-1,3-thiazol-5-yl)butan-2-ol?
The InChIKey is DPBNAXURYYSMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NOS/c1-4-9(15,10(11,12)13)7-5-14-8(16-7)6(2)3/h5-6,15H,4H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-2-(2-propan-2-yl-1,3-thiazol-5-yl)butan-2-ol?
1,1,1-trifluoro-2-(2-propan-2-yl-1,3-thiazol-5-yl)butan-2-ol has a molecular weight of 253.29 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(2-propan-2-yl-1,3-thiazol-5-yl)butan-2-ol is sourced from PubChem (CID 58973043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).