methyl 2-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C14H16N4O4S — CID 7746549

IUPACmethyl 2-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)Cn2c(C)cc(C)nc2=O)nc1C
InChIInChI=1S/C14H16N4O4S/c1-7-5-8(2)18(14(21)15-7)6-10(19)17-13-16-9(3)11(23-13)12(20)22-4/h5H,6H2,1-4H3,(H,16,17,19)
InChIKeyMQAKDAZBXRLRHC-UHFFFAOYSA-N
MW336.37 g/mol
LogP1.05
Rot. Bonds4

About methyl 2-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 7746549) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is methyl 2-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID7746549
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC Namemethyl 2-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)Cn2c(C)cc(C)nc2=O)nc1C
InChIInChI=1S/C14H16N4O4S/c1-7-5-8(2)18(14(21)15-7)6-10(19)17-13-16-9(3)11(23-13)12(20)22-4/h5H,6H2,1-4H3,(H,16,17,19)
InChIKeyMQAKDAZBXRLRHC-UHFFFAOYSA-N
XLogP1.05
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7746542
methyl 4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylate
CID 647925
methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108808756
methyl 2-[[2-(2-formylpyrrol-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 39149048
ethyl 4-methyl-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 6615144
methyl 2-[[2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 135713530
methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate
CID 5058750
methyl 2-[(3-amino-3-sulfanylidenepropanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 82154875
methyl 2-(4-methoxybutanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 55756724
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3582528
methyl 4-methyl-2-(4-phenylbutanoylamino)-1,3-thiazole-5-carboxylate
CID 17218045
methyl 4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 3146505

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 7746549) is methyl 2-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)Cn2c(C)cc(C)nc2=O)nc1C.
What is the InChIKey of methyl 2-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is MQAKDAZBXRLRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c1-7-5-8(2)18(14(21)15-7)6-10(19)17-13-16-9(3)11(23-13)12(20)22-4/h5H,6H2,1-4H3,(H,16,17,19).
What are the key properties of methyl 2-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 336.37 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7746549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).