(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethylamino)methanol

C12H12F3N3OS — CID 123506430

IUPAC(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethylamino)methanol
SMILESCc1nc(C(O)NCC(F)(F)F)sc1-c1cccnc1
InChIInChI=1S/C12H12F3N3OS/c1-7-9(8-3-2-4-16-5-8)20-11(18-7)10(19)17-6-12(13,14)15/h2-5,10,17,19H,6H2,1H3
InChIKeyLCCXHIGWELWWFR-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.66
Rot. Bonds4

About (4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethylamino)methanol

(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethylamino)methanol (PubChem CID 123506430) has the molecular formula C12H12F3N3OS and a molecular weight of 303.31 g/mol. Its IUPAC name is (4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethylamino)methanol.

Molecular Properties

Compound Name(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethylamino)methanol
PubChem CID123506430
Molecular FormulaC12H12F3N3OS
Molecular Weight303.31 g/mol
Exact Mass303.07
IUPAC Name(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethylamino)methanol
SMILESCc1nc(C(O)NCC(F)(F)F)sc1-c1cccnc1
InChIInChI=1S/C12H12F3N3OS/c1-7-9(8-3-2-4-16-5-8)20-11(18-7)10(19)17-6-12(13,14)15/h2-5,10,17,19H,6H2,1H3
InChIKeyLCCXHIGWELWWFR-UHFFFAOYSA-N
XLogP2.66
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethylamino)methanol?
The IUPAC name of (4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethylamino)methanol (CID 123506430) is (4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethylamino)methanol.
What is the SMILES notation for (4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethylamino)methanol?
The canonical SMILES for (4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethylamino)methanol is Cc1nc(C(O)NCC(F)(F)F)sc1-c1cccnc1.
What is the InChIKey of (4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethylamino)methanol?
The InChIKey is LCCXHIGWELWWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3OS/c1-7-9(8-3-2-4-16-5-8)20-11(18-7)10(19)17-6-12(13,14)15/h2-5,10,17,19H,6H2,1H3.
What are the key properties of (4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethylamino)methanol?
(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethylamino)methanol has a molecular weight of 303.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethylamino)methanol is sourced from PubChem (CID 123506430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).