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

C16H13F3N2OS — CID 152650725

IUPAC(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C16H13F3N2OS/c17-16(18,19)11-5-3-9(4-6-11)14(22)13-15(10-1-2-10)23-12-7-20-8-21(12)13/h3-8,10,14,22H,1-2H2
InChIKeyZHMPALBFQAYLPD-UHFFFAOYSA-N
MW338.35 g/mol
LogP4.37
Rot. Bonds3

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

(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 152650725) has the molecular formula C16H13F3N2OS and a molecular weight of 338.35 g/mol. Its IUPAC name is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[4-(trifluoromethyl)phenyl]methanol
PubChem CID152650725
Molecular FormulaC16H13F3N2OS
Molecular Weight338.35 g/mol
Exact Mass338.07
IUPAC Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C16H13F3N2OS/c17-16(18,19)11-5-3-9(4-6-11)14(22)13-15(10-1-2-10)23-12-7-20-8-21(12)13/h3-8,10,14,22H,1-2H2
InChIKeyZHMPALBFQAYLPD-UHFFFAOYSA-N
XLogP4.37
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[4-(trifluoromethyl)phenyl]methanol (CID 152650725) is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[4-(trifluoromethyl)phenyl]methanol is OC(c1ccc(C(F)(F)F)cc1)c1c(C2CC2)sc2cncn12.
What is the InChIKey of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is ZHMPALBFQAYLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2OS/c17-16(18,19)11-5-3-9(4-6-11)14(22)13-15(10-1-2-10)23-12-7-20-8-21(12)13/h3-8,10,14,22H,1-2H2.
What are the key properties of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[4-(trifluoromethyl)phenyl]methanol?
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 338.35 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 152650725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).