ethyl 2-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]-1,3-thiazole-4-carboxylate

C18H17FN4O3S — CID 1473051

IUPACethyl 2-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2ncc(C)c(-c3ccc(OC)c(F)c3)n2)n1
InChIInChI=1S/C18H17FN4O3S/c1-4-26-16(24)13-9-27-18(21-13)23-17-20-8-10(2)15(22-17)11-5-6-14(25-3)12(19)7-11/h5-9H,4H2,1-3H3,(H,20,21,22,23)
InChIKeyGYVYNNJKAIWUEA-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.98
Rot. Bonds6

About ethyl 2-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]-1,3-thiazole-4-carboxylate

ethyl 2-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 1473051) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is ethyl 2-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]-1,3-thiazole-4-carboxylate
PubChem CID1473051
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC Nameethyl 2-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2ncc(C)c(-c3ccc(OC)c(F)c3)n2)n1
InChIInChI=1S/C18H17FN4O3S/c1-4-26-16(24)13-9-27-18(21-13)23-17-20-8-10(2)15(22-17)11-5-6-14(25-3)12(19)7-11/h5-9H,4H2,1-3H3,(H,20,21,22,23)
InChIKeyGYVYNNJKAIWUEA-UHFFFAOYSA-N
XLogP3.98
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-(2,4-difluoroanilino)-1,3-thiazole-4-carboxylate
CID 112724637
ethyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-4-carboxylate
CID 78980179
ethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 78919756
ethyl 2-[(3-methoxy-4-methylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 51229930
ethyl 2-(4-bromo-3-methoxyanilino)-1,3-thiazole-4-carboxylate
CID 82861980
ethyl 2-(4-cyano-2-methoxyanilino)-1,3-thiazole-4-carboxylate
CID 104850151
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
ethyl 2-(2-bromo-4-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 80567882
ethyl 2-(2,6-dibromo-4-methylanilino)-1,3-thiazole-4-carboxylate
CID 80567895
(3-fluoro-4-methoxyphenyl)methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 55321379
ethyl 2-(3-chloro-5-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 107371000
ethyl 2-(2-bromo-6-chloro-4-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 107617594

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]-1,3-thiazole-4-carboxylate (CID 1473051) is ethyl 2-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(Nc2ncc(C)c(-c3ccc(OC)c(F)c3)n2)n1.
What is the InChIKey of ethyl 2-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is GYVYNNJKAIWUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c1-4-26-16(24)13-9-27-18(21-13)23-17-20-8-10(2)15(22-17)11-5-6-14(25-3)12(19)7-11/h5-9H,4H2,1-3H3,(H,20,21,22,23).
What are the key properties of ethyl 2-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 388.42 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 1473051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).