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

C12H19F3N2OS — CID 62778324

IUPAC[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N(CC(F)(F)F)C(C)C)sc1CO
InChIInChI=1S/C12H19F3N2OS/c1-4-5-9-10(6-18)19-11(16-9)17(8(2)3)7-12(13,14)15/h8,18H,4-7H2,1-3H3
InChIKeyAKMFYBSJXFEPSU-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.37
Rot. Bonds6

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

[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol (PubChem CID 62778324) has the molecular formula C12H19F3N2OS and a molecular weight of 296.36 g/mol. Its IUPAC name is [2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
PubChem CID62778324
Molecular FormulaC12H19F3N2OS
Molecular Weight296.36 g/mol
Exact Mass296.12
IUPAC Name[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N(CC(F)(F)F)C(C)C)sc1CO
InChIInChI=1S/C12H19F3N2OS/c1-4-5-9-10(6-18)19-11(16-9)17(8(2)3)7-12(13,14)15/h8,18H,4-7H2,1-3H3
InChIKeyAKMFYBSJXFEPSU-UHFFFAOYSA-N
XLogP3.37
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol (CID 62778324) is [2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol is CCCc1nc(N(CC(F)(F)F)C(C)C)sc1CO.
What is the InChIKey of [2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
The InChIKey is AKMFYBSJXFEPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2OS/c1-4-5-9-10(6-18)19-11(16-9)17(8(2)3)7-12(13,14)15/h8,18H,4-7H2,1-3H3.
What are the key properties of [2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol has a molecular weight of 296.36 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62778324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).