2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone

C17H13F2N3O2S — CID 58349307

IUPAC2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone
SMILESCC(F)(F)c1csc(CC(=O)c2cncc(Oc3cccnc3)c2)n1
InChIInChI=1S/C17H13F2N3O2S/c1-17(18,19)15-10-25-16(22-15)6-14(23)11-5-13(9-21-7-11)24-12-3-2-4-20-8-12/h2-5,7-10H,6H2,1H3
InChIKeyRDMNKTPROKYJSW-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.26
Rot. Bonds6

About 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone

2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone (PubChem CID 58349307) has the molecular formula C17H13F2N3O2S and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone
PubChem CID58349307
Molecular FormulaC17H13F2N3O2S
Molecular Weight361.37 g/mol
Exact Mass361.07
IUPAC Name2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone
SMILESCC(F)(F)c1csc(CC(=O)c2cncc(Oc3cccnc3)c2)n1
InChIInChI=1S/C17H13F2N3O2S/c1-17(18,19)15-10-25-16(22-15)6-14(23)11-5-13(9-21-7-11)24-12-3-2-4-20-8-12/h2-5,7-10H,6H2,1H3
InChIKeyRDMNKTPROKYJSW-UHFFFAOYSA-N
XLogP4.26
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349271
N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-3-yloxypyridine-3-carboxamide
CID 86762172
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3,5-difluorophenyl)ethanone
CID 79820414
2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone
CID 112731528
1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone
CID 123892434
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 115787104
3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337430
1-(5-bromo-3-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 112731549
4-pyridin-3-yloxybenzoic acid
CID 22261667
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106848025
N-(3,5-dimethylphenyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110342123
1-(4-pyridin-3-yloxyphenyl)ethanone
CID 3016094

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone?
The IUPAC name of 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone (CID 58349307) is 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone.
What is the SMILES notation for 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone?
The canonical SMILES for 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone is CC(F)(F)c1csc(CC(=O)c2cncc(Oc3cccnc3)c2)n1.
What is the InChIKey of 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone?
The InChIKey is RDMNKTPROKYJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2S/c1-17(18,19)15-10-25-16(22-15)6-14(23)11-5-13(9-21-7-11)24-12-3-2-4-20-8-12/h2-5,7-10H,6H2,1H3.
What are the key properties of 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone?
2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone has a molecular weight of 361.37 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone is sourced from PubChem (CID 58349307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).