2-[2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol

C10H14F3NOS — CID 156722408

IUPAC2-[2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol
SMILESCC(C)c1nc(C(C)(C)O)c(C(F)(F)F)s1
InChIInChI=1S/C10H14F3NOS/c1-5(2)8-14-6(9(3,4)15)7(16-8)10(11,12)13/h5,15H,1-4H3
InChIKeyDLQKHEYDRMBPDA-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.51
Rot. Bonds2

About 2-[2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol

2-[2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol (PubChem CID 156722408) has the molecular formula C10H14F3NOS and a molecular weight of 253.29 g/mol. Its IUPAC name is 2-[2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol
PubChem CID156722408
Molecular FormulaC10H14F3NOS
Molecular Weight253.29 g/mol
Exact Mass253.07
IUPAC Name2-[2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol
SMILESCC(C)c1nc(C(C)(C)O)c(C(F)(F)F)s1
InChIInChI=1S/C10H14F3NOS/c1-5(2)8-14-6(9(3,4)15)7(16-8)10(11,12)13/h5,15H,1-4H3
InChIKeyDLQKHEYDRMBPDA-UHFFFAOYSA-N
XLogP3.51
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol (CID 156722408) is 2-[2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol is CC(C)c1nc(C(C)(C)O)c(C(F)(F)F)s1.
What is the InChIKey of 2-[2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol?
The InChIKey is DLQKHEYDRMBPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NOS/c1-5(2)8-14-6(9(3,4)15)7(16-8)10(11,12)13/h5,15H,1-4H3.
What are the key properties of 2-[2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol?
2-[2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol has a molecular weight of 253.29 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol is sourced from PubChem (CID 156722408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).