ethyl 4-methyl-2-[(6-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate

C15H19N5O3S — CID 135744164

IUPACethyl 4-methyl-2-[(6-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2nc3c(c(=O)[nH]2)CN(C)CC3)nc1C
InChIInChI=1S/C15H19N5O3S/c1-4-23-13(22)11-8(2)16-15(24-11)19-14-17-10-5-6-20(3)7-9(10)12(21)18-14/h4-7H2,1-3H3,(H2,16,17,18,19,21)
InChIKeyOEDSYZOZZLIHAC-UHFFFAOYSA-N
MW349.42 g/mol
LogP1.44
Rot. Bonds4

About ethyl 4-methyl-2-[(6-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[(6-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 135744164) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is ethyl 4-methyl-2-[(6-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[(6-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate
PubChem CID135744164
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC Nameethyl 4-methyl-2-[(6-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2nc3c(c(=O)[nH]2)CN(C)CC3)nc1C
InChIInChI=1S/C15H19N5O3S/c1-4-23-13(22)11-8(2)16-15(24-11)19-14-17-10-5-6-20(3)7-9(10)12(21)18-14/h4-7H2,1-3H3,(H2,16,17,18,19,21)
InChIKeyOEDSYZOZZLIHAC-UHFFFAOYSA-N
XLogP1.44
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 4-methyl-2-[(6-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

ethyl 4-methyl-2-[(6-oxo-4-phenyl-5-propyl-1H-pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate
CID 135894937
ethyl 4-methyl-2-[[2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 52902292
ethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate
CID 2989996
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
ethyl 3-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate
CID 171987495
ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
ethyl 4-methyl-2-[[2-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 135453695
2-chloro-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136982066
ethyl 2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 868821
ethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 86635202
ethyl 2-[[7-(2-acetyloxyacetyl)-4-[(4-methylphenyl)methylamino]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 142183720
ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 3663745

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[(6-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[(6-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate (CID 135744164) is ethyl 4-methyl-2-[(6-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[(6-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[(6-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Nc2nc3c(c(=O)[nH]2)CN(C)CC3)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[(6-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is OEDSYZOZZLIHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-4-23-13(22)11-8(2)16-15(24-11)19-14-17-10-5-6-20(3)7-9(10)12(21)18-14/h4-7H2,1-3H3,(H2,16,17,18,19,21).
What are the key properties of ethyl 4-methyl-2-[(6-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[(6-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 349.42 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[(6-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 135744164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).