2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-methyl-1,3-thiazole-5-carboxamide

C13H14N4O3S — CID 75532398

IUPAC2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(/C=C/c2cn(C)c(=O)n(C)c2=O)s1
InChIInChI=1S/C13H14N4O3S/c1-14-11(18)9-6-15-10(21-9)5-4-8-7-16(2)13(20)17(3)12(8)19/h4-7H,1-3H3,(H,14,18)/b5-4+
InChIKeyAZVLLXQFFYPHGN-SNAWJCMRSA-N
MW306.35 g/mol
LogP0.07
Rot. Bonds3

About 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-methyl-1,3-thiazole-5-carboxamide

2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 75532398) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID75532398
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(/C=C/c2cn(C)c(=O)n(C)c2=O)s1
InChIInChI=1S/C13H14N4O3S/c1-14-11(18)9-6-15-10(21-9)5-4-8-7-16(2)13(20)17(3)12(8)19/h4-7H,1-3H3,(H,14,18)/b5-4+
InChIKeyAZVLLXQFFYPHGN-SNAWJCMRSA-N
XLogP0.07
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-methyl-1,3-thiazole-5-carboxamide (CID 75532398) is 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-methyl-1,3-thiazole-5-carboxamide is CNC(=O)c1cnc(/C=C/c2cn(C)c(=O)n(C)c2=O)s1.
What is the InChIKey of 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is AZVLLXQFFYPHGN-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-14-11(18)9-6-15-10(21-9)5-4-8-7-16(2)13(20)17(3)12(8)19/h4-7H,1-3H3,(H,14,18)/b5-4+.
What are the key properties of 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-methyl-1,3-thiazole-5-carboxamide?
2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 306.35 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75532398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).