[4-chloro-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3-thiazol-5-yl]methanol

C10H10ClF3N2OS — CID 114490327

IUPAC[4-chloro-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(N2CC=C(C(F)(F)F)CC2)nc1Cl
InChIInChI=1S/C10H10ClF3N2OS/c11-8-7(5-17)18-9(15-8)16-3-1-6(2-4-16)10(12,13)14/h1,17H,2-5H2
InChIKeyXHEWZSNGYRDUSF-UHFFFAOYSA-N
MW298.72 g/mol
LogP2.99
Rot. Bonds2

About [4-chloro-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3-thiazol-5-yl]methanol

[4-chloro-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3-thiazol-5-yl]methanol (PubChem CID 114490327) has the molecular formula C10H10ClF3N2OS and a molecular weight of 298.72 g/mol. Its IUPAC name is [4-chloro-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3-thiazol-5-yl]methanol
PubChem CID114490327
Molecular FormulaC10H10ClF3N2OS
Molecular Weight298.72 g/mol
Exact Mass298.02
IUPAC Name[4-chloro-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(N2CC=C(C(F)(F)F)CC2)nc1Cl
InChIInChI=1S/C10H10ClF3N2OS/c11-8-7(5-17)18-9(15-8)16-3-1-6(2-4-16)10(12,13)14/h1,17H,2-5H2
InChIKeyXHEWZSNGYRDUSF-UHFFFAOYSA-N
XLogP2.99
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3-thiazol-5-yl]methanol (CID 114490327) is [4-chloro-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3-thiazol-5-yl]methanol is OCc1sc(N2CC=C(C(F)(F)F)CC2)nc1Cl.
What is the InChIKey of [4-chloro-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3-thiazol-5-yl]methanol?
The InChIKey is XHEWZSNGYRDUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2OS/c11-8-7(5-17)18-9(15-8)16-3-1-6(2-4-16)10(12,13)14/h1,17H,2-5H2.
What are the key properties of [4-chloro-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3-thiazol-5-yl]methanol?
[4-chloro-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3-thiazol-5-yl]methanol has a molecular weight of 298.72 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 114490327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).