1-[3-[5-(2-chloropyrimidin-4-yl)-2-(fluoromethyl)-1,3-thiazol-4-yl]phenyl]ethanol

C16H13ClFN3OS — CID 89199116

IUPAC1-[3-[5-(2-chloropyrimidin-4-yl)-2-(fluoromethyl)-1,3-thiazol-4-yl]phenyl]ethanol
SMILESCC(O)c1cccc(-c2nc(CF)sc2-c2ccnc(Cl)n2)c1
InChIInChI=1S/C16H13ClFN3OS/c1-9(22)10-3-2-4-11(7-10)14-15(23-13(8-18)21-14)12-5-6-19-16(17)20-12/h2-7,9,22H,8H2,1H3
InChIKeyTUXQIOAGSRSGEC-UHFFFAOYSA-N
MW349.82 g/mol
LogP4.44
Rot. Bonds4

About 1-[3-[5-(2-chloropyrimidin-4-yl)-2-(fluoromethyl)-1,3-thiazol-4-yl]phenyl]ethanol

1-[3-[5-(2-chloropyrimidin-4-yl)-2-(fluoromethyl)-1,3-thiazol-4-yl]phenyl]ethanol (PubChem CID 89199116) has the molecular formula C16H13ClFN3OS and a molecular weight of 349.82 g/mol. Its IUPAC name is 1-[3-[5-(2-chloropyrimidin-4-yl)-2-(fluoromethyl)-1,3-thiazol-4-yl]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-[5-(2-chloropyrimidin-4-yl)-2-(fluoromethyl)-1,3-thiazol-4-yl]phenyl]ethanol
PubChem CID89199116
Molecular FormulaC16H13ClFN3OS
Molecular Weight349.82 g/mol
Exact Mass349.05
IUPAC Name1-[3-[5-(2-chloropyrimidin-4-yl)-2-(fluoromethyl)-1,3-thiazol-4-yl]phenyl]ethanol
SMILESCC(O)c1cccc(-c2nc(CF)sc2-c2ccnc(Cl)n2)c1
InChIInChI=1S/C16H13ClFN3OS/c1-9(22)10-3-2-4-11(7-10)14-15(23-13(8-18)21-14)12-5-6-19-16(17)20-12/h2-7,9,22H,8H2,1H3
InChIKeyTUXQIOAGSRSGEC-UHFFFAOYSA-N
XLogP4.44
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Methylphenyl)-2-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]ethanol
CID 24823826
1-(4-Methylphenyl)-2-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]ethanol
CID 24824117
2-[[2-[3-(2-Methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 44530273
2-[[2-[3-(2-Methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 44530283
2-(4-Methyl-2-(2-(3-methyl-5-(trifluoromethyl)phenylamino)pyrimidin-4-yl)thiazol-5-yl)ethanol
CID 44593469
2-(2-(2-(3,5-Dimethylphenylamino)pyrimidin-4-yl)-4-methylthiazol-5-yl)ethanol
CID 44593470
2-[[2-[3-(2-Methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol
CID 24823181
1-(3-Fluorophenyl)-2-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]ethanol
CID 44530266
Phenyl-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol
CID 46944022
(4-Fluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol
CID 46948098
1-(3-Fluorophenyl)-1-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)ethanol
CID 46943852
Phenyl-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol
CID 47053430

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(2-chloropyrimidin-4-yl)-2-(fluoromethyl)-1,3-thiazol-4-yl]phenyl]ethanol?
The IUPAC name of 1-[3-[5-(2-chloropyrimidin-4-yl)-2-(fluoromethyl)-1,3-thiazol-4-yl]phenyl]ethanol (CID 89199116) is 1-[3-[5-(2-chloropyrimidin-4-yl)-2-(fluoromethyl)-1,3-thiazol-4-yl]phenyl]ethanol.
What is the SMILES notation for 1-[3-[5-(2-chloropyrimidin-4-yl)-2-(fluoromethyl)-1,3-thiazol-4-yl]phenyl]ethanol?
The canonical SMILES for 1-[3-[5-(2-chloropyrimidin-4-yl)-2-(fluoromethyl)-1,3-thiazol-4-yl]phenyl]ethanol is CC(O)c1cccc(-c2nc(CF)sc2-c2ccnc(Cl)n2)c1.
What is the InChIKey of 1-[3-[5-(2-chloropyrimidin-4-yl)-2-(fluoromethyl)-1,3-thiazol-4-yl]phenyl]ethanol?
The InChIKey is TUXQIOAGSRSGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3OS/c1-9(22)10-3-2-4-11(7-10)14-15(23-13(8-18)21-14)12-5-6-19-16(17)20-12/h2-7,9,22H,8H2,1H3.
What are the key properties of 1-[3-[5-(2-chloropyrimidin-4-yl)-2-(fluoromethyl)-1,3-thiazol-4-yl]phenyl]ethanol?
1-[3-[5-(2-chloropyrimidin-4-yl)-2-(fluoromethyl)-1,3-thiazol-4-yl]phenyl]ethanol has a molecular weight of 349.82 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(2-chloropyrimidin-4-yl)-2-(fluoromethyl)-1,3-thiazol-4-yl]phenyl]ethanol is sourced from PubChem (CID 89199116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).