[4-cyclopropyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol

C12H17F3N2OS — CID 63915665

IUPAC[4-cyclopropyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCCN(CC(F)(F)F)c1nc(C2CC2)c(CO)s1
InChIInChI=1S/C12H17F3N2OS/c1-2-5-17(7-12(13,14)15)11-16-10(8-3-4-8)9(6-18)19-11/h8,18H,2-7H2,1H3
InChIKeyDHLICMPDCAIFBM-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.29
Rot. Bonds6

About [4-cyclopropyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol

[4-cyclopropyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 63915665) has the molecular formula C12H17F3N2OS and a molecular weight of 294.34 g/mol. Its IUPAC name is [4-cyclopropyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-cyclopropyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID63915665
Molecular FormulaC12H17F3N2OS
Molecular Weight294.34 g/mol
Exact Mass294.10
IUPAC Name[4-cyclopropyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCCN(CC(F)(F)F)c1nc(C2CC2)c(CO)s1
InChIInChI=1S/C12H17F3N2OS/c1-2-5-17(7-12(13,14)15)11-16-10(8-3-4-8)9(6-18)19-11/h8,18H,2-7H2,1H3
InChIKeyDHLICMPDCAIFBM-UHFFFAOYSA-N
XLogP3.29
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-cyclopropyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (CID 63915665) is [4-cyclopropyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-cyclopropyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-cyclopropyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is CCCN(CC(F)(F)F)c1nc(C2CC2)c(CO)s1.
What is the InChIKey of [4-cyclopropyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is DHLICMPDCAIFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2OS/c1-2-5-17(7-12(13,14)15)11-16-10(8-3-4-8)9(6-18)19-11/h8,18H,2-7H2,1H3.
What are the key properties of [4-cyclopropyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
[4-cyclopropyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 294.34 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 63915665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).