1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone

C17H14F2N4OS — CID 58318752

IUPAC1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1nc(CC(=O)c2cc(F)cc(N(C)c3cncnc3)c2)sc1F
InChIInChI=1S/C17H14F2N4OS/c1-10-17(19)25-16(22-10)6-15(24)11-3-12(18)5-13(4-11)23(2)14-7-20-9-21-8-14/h3-5,7-9H,6H2,1-2H3
InChIKeyDSJKDXXXXSOJPV-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.71
Rot. Bonds5

About 1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone

1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 58318752) has the molecular formula C17H14F2N4OS and a molecular weight of 360.39 g/mol. Its IUPAC name is 1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID58318752
Molecular FormulaC17H14F2N4OS
Molecular Weight360.39 g/mol
Exact Mass360.09
IUPAC Name1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1nc(CC(=O)c2cc(F)cc(N(C)c3cncnc3)c2)sc1F
InChIInChI=1S/C17H14F2N4OS/c1-10-17(19)25-16(22-10)6-15(24)11-3-12(18)5-13(4-11)23(2)14-7-20-9-21-8-14/h3-5,7-9H,6H2,1-2H3
InChIKeyDSJKDXXXXSOJPV-UHFFFAOYSA-N
XLogP3.71
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone with MolForge

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Related Compounds

(4-Amino-2-(pyridin-3-ylamino)thiazol-5-yl)(2-fluorophenyl)methanone
CID 54581340
4-fluoro-N-methyl-N-(4-(pyrimidin-4-yl)thiazol-2-yl)benzamide
CID 16038338
4-fluoro-N-methyl-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 16661408
4-fluoro-N-methyl-N-(4-(pyrazin-2-yl)thiazol-2-yl)benzamide
CID 16661409
4-fluoro-N-methyl-N-(4-(pyridin-4-yl)thiazol-2-yl)benzamide
CID 16661726
N-ethyl-4-fluoro-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 16661728
4-fluoro-N-propyl-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 16661729
2-[(2-fluorophenyl)amino]-4-phenyl-N-(pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 1251301
1-[1-(3-Fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrimidin-2-ylsulfanylethanone
CID 2592907
3-fluoro-N-methyl-N-(4-(pyridin-4-yl)thiazol-2-yl)benzamide
CID 45486747
2-fluoro-N-methyl-N-(4-(pyridin-4-yl)thiazol-2-yl)benzamide
CID 45486748
4-fluoro-N-methyl-N-(4-(pyridin-3-yl)thiazol-2-yl)benzamide
CID 45486755

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone (CID 58318752) is 1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone is Cc1nc(CC(=O)c2cc(F)cc(N(C)c3cncnc3)c2)sc1F.
What is the InChIKey of 1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is DSJKDXXXXSOJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4OS/c1-10-17(19)25-16(22-10)6-15(24)11-3-12(18)5-13(4-11)23(2)14-7-20-9-21-8-14/h3-5,7-9H,6H2,1-2H3.
What are the key properties of 1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone?
1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 360.39 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 58318752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).