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

C18H17FN4OS — CID 58318811

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone
SMILESCc1nc(CC(=O)c2cc(F)cc(N(C)c3cncnc3)c2)sc1C
InChIInChI=1S/C18H17FN4OS/c1-11-12(2)25-18(22-11)7-17(24)13-4-14(19)6-15(5-13)23(3)16-8-20-10-21-9-16/h4-6,8-10H,7H2,1-3H3
InChIKeyKJWQYAFQSMYPQW-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.88
Rot. Bonds5

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

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone (PubChem CID 58318811) has the molecular formula C18H17FN4OS and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone
PubChem CID58318811
Molecular FormulaC18H17FN4OS
Molecular Weight356.43 g/mol
Exact Mass356.11
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone
SMILESCc1nc(CC(=O)c2cc(F)cc(N(C)c3cncnc3)c2)sc1C
InChIInChI=1S/C18H17FN4OS/c1-11-12(2)25-18(22-11)7-17(24)13-4-14(19)6-15(5-13)23(3)16-8-20-10-21-9-16/h4-6,8-10H,7H2,1-3H3
InChIKeyKJWQYAFQSMYPQW-UHFFFAOYSA-N
XLogP3.88
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-fluoro-N-(4-(6-(isopropylamino)pyrimidin-4-yl)-1,3-thiazol-2-yl)-N-methylbenzamide
CID 16660135
(4-Amino-2-(pyridin-3-ylamino)thiazol-5-yl)(2-fluorophenyl)methanone
CID 54581340
(18F)Fitm
CID 53233900
[6-Ethyl-5-methyl-7-(methylthio)imidazo[1,2-a]pyrimidin-2-yl]phenylmethanone
CID 10041142
(7-Methylsulfanyl-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301036
(5-Methyl-7-methylsulfanyl-6-prop-2-enylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301162
(5-Ethyl-7-methylsulfanyl-6-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301164
4-fluoro-N-methyl-N-(4-(pyrimidin-4-yl)thiazol-2-yl)benzamide
CID 16038338
N-(4-(6-(ethylamino)pyrimidin-4-yl)thiazol-2-yl)-4-fluoro-N-methylbenzamide
CID 16660140
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

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone (CID 58318811) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone is Cc1nc(CC(=O)c2cc(F)cc(N(C)c3cncnc3)c2)sc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone?
The InChIKey is KJWQYAFQSMYPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS/c1-11-12(2)25-18(22-11)7-17(24)13-4-14(19)6-15(5-13)23(3)16-8-20-10-21-9-16/h4-6,8-10H,7H2,1-3H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone has a molecular weight of 356.43 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone is sourced from PubChem (CID 58318811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).