5-[2-[2-(difluoromethoxy)anilino]pyrimidin-4-yl]-3,4-dimethyl-1,3-thiazol-2-one

C16H14F2N4O2S — CID 86290976

IUPAC5-[2-[2-(difluoromethoxy)anilino]pyrimidin-4-yl]-3,4-dimethyl-1,3-thiazol-2-one
SMILESCc1c(-c2ccnc(Nc3ccccc3OC(F)F)n2)sc(=O)n1C
InChIInChI=1S/C16H14F2N4O2S/c1-9-13(25-16(23)22(9)2)11-7-8-19-15(21-11)20-10-5-3-4-6-12(10)24-14(17)18/h3-8,14H,1-2H3,(H,19,20,21)
InChIKeyUVILNNBJJOHBFN-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.56
Rot. Bonds5

About 5-[2-[2-(difluoromethoxy)anilino]pyrimidin-4-yl]-3,4-dimethyl-1,3-thiazol-2-one

5-[2-[2-(difluoromethoxy)anilino]pyrimidin-4-yl]-3,4-dimethyl-1,3-thiazol-2-one (PubChem CID 86290976) has the molecular formula C16H14F2N4O2S and a molecular weight of 364.38 g/mol. Its IUPAC name is 5-[2-[2-(difluoromethoxy)anilino]pyrimidin-4-yl]-3,4-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[2-[2-(difluoromethoxy)anilino]pyrimidin-4-yl]-3,4-dimethyl-1,3-thiazol-2-one
PubChem CID86290976
Molecular FormulaC16H14F2N4O2S
Molecular Weight364.38 g/mol
Exact Mass364.08
IUPAC Name5-[2-[2-(difluoromethoxy)anilino]pyrimidin-4-yl]-3,4-dimethyl-1,3-thiazol-2-one
SMILESCc1c(-c2ccnc(Nc3ccccc3OC(F)F)n2)sc(=O)n1C
InChIInChI=1S/C16H14F2N4O2S/c1-9-13(25-16(23)22(9)2)11-7-8-19-15(21-11)20-10-5-3-4-6-12(10)24-14(17)18/h3-8,14H,1-2H3,(H,19,20,21)
InChIKeyUVILNNBJJOHBFN-UHFFFAOYSA-N
XLogP3.56
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Bisanilinopyrimidine, 6f
CID 70702137
1-(2-Ethoxyphenyl)-3-[(4-methylpyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2927186
2-[4-(2-Methoxyphenyl)piperazin-1-yl]-4-methylpyrimidine
CID 6487569
5-chloro-2-N-[2-(difluoromethoxy)phenyl]-4-N-methylpyrimidine-2,4-diamine
CID 71462440
1-[4-(difluoromethoxy)phenyl]-3-[(3S)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]urea
CID 117995668
1-[(3S)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 117996022
N-(2-Methoxy-phenyl)-6-(4-methyl-pyrimidin-2-ylsulfanylmethyl)-[1,3,5]triazine-2,4-diamine
CID 649324
1-Pyrimidin-2-yl-piperidine-4-carboxylic acid (2-methoxy-phenyl)-amide
CID 656115
N-(2-methoxyphenyl)-4-(pyrimidin-2-yl)piperazine-1-carboxamide
CID 736392
N-(2-methoxyphenyl)-6-[(2-pyrimidinylthio)methyl]-1,3,5-triazine-2,4-diamine
CID 901224
N-(2-methoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide
CID 945295
N-(2-methoxy-5-nitrophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 2391270

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(difluoromethoxy)anilino]pyrimidin-4-yl]-3,4-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 5-[2-[2-(difluoromethoxy)anilino]pyrimidin-4-yl]-3,4-dimethyl-1,3-thiazol-2-one (CID 86290976) is 5-[2-[2-(difluoromethoxy)anilino]pyrimidin-4-yl]-3,4-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 5-[2-[2-(difluoromethoxy)anilino]pyrimidin-4-yl]-3,4-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 5-[2-[2-(difluoromethoxy)anilino]pyrimidin-4-yl]-3,4-dimethyl-1,3-thiazol-2-one is Cc1c(-c2ccnc(Nc3ccccc3OC(F)F)n2)sc(=O)n1C.
What is the InChIKey of 5-[2-[2-(difluoromethoxy)anilino]pyrimidin-4-yl]-3,4-dimethyl-1,3-thiazol-2-one?
The InChIKey is UVILNNBJJOHBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O2S/c1-9-13(25-16(23)22(9)2)11-7-8-19-15(21-11)20-10-5-3-4-6-12(10)24-14(17)18/h3-8,14H,1-2H3,(H,19,20,21).
What are the key properties of 5-[2-[2-(difluoromethoxy)anilino]pyrimidin-4-yl]-3,4-dimethyl-1,3-thiazol-2-one?
5-[2-[2-(difluoromethoxy)anilino]pyrimidin-4-yl]-3,4-dimethyl-1,3-thiazol-2-one has a molecular weight of 364.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(difluoromethoxy)anilino]pyrimidin-4-yl]-3,4-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 86290976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).