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

C16H13FN4OS — CID 58318765

IUPAC1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone
SMILESCN(c1cncnc1)c1cc(F)cc(C(=O)Cc2nccs2)c1
InChIInChI=1S/C16H13FN4OS/c1-21(14-8-18-10-19-9-14)13-5-11(4-12(17)6-13)15(22)7-16-20-2-3-23-16/h2-6,8-10H,7H2,1H3
InChIKeyATOAMLNDGZAZBE-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.27
Rot. Bonds5

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

1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 58318765) has the molecular formula C16H13FN4OS and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone
PubChem CID58318765
Molecular FormulaC16H13FN4OS
Molecular Weight328.37 g/mol
Exact Mass328.08
IUPAC Name1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone
SMILESCN(c1cncnc1)c1cc(F)cc(C(=O)Cc2nccs2)c1
InChIInChI=1S/C16H13FN4OS/c1-21(14-8-18-10-19-9-14)13-5-11(4-12(17)6-13)15(22)7-16-20-2-3-23-16/h2-6,8-10H,7H2,1H3
InChIKeyATOAMLNDGZAZBE-UHFFFAOYSA-N
XLogP3.27
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-Amino-2-(pyridin-3-ylamino)thiazol-5-yl)(2-fluorophenyl)methanone
CID 54581340
2,4-difluoro-N-methyl-5-((2-(pyridin-2-ylamino)thiazol-5-ylmethyl)amino)benzamide
CID 9799758
(4-Amino-2-(pyridin-3-ylamino)thiazol-5-yl)(phenyl)methanone
CID 9922224
4-fluoro-N-methyl-3-((2-(pyridin-2-ylamino)thiazol-5-ylmethyl)amino)benzamide
CID 11595595
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
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone (CID 58318765) is 1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone is CN(c1cncnc1)c1cc(F)cc(C(=O)Cc2nccs2)c1.
What is the InChIKey of 1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is ATOAMLNDGZAZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4OS/c1-21(14-8-18-10-19-9-14)13-5-11(4-12(17)6-13)15(22)7-16-20-2-3-23-16/h2-6,8-10H,7H2,1H3.
What are the key properties of 1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone?
1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 328.37 g/mol, XLogP of 3.27, 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-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 58318765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).