N-methyl-2,4-dioxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-6-carboxamide

C16H14N4O3S — CID 56888778

IUPACN-methyl-2,4-dioxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-6-carboxamide
SMILESCN(Cc1csc(-c2ccccc2)n1)C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C16H14N4O3S/c1-20(15(22)12-7-13(21)19-16(23)18-12)8-11-9-24-14(17-11)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H2,18,19,21,23)
InChIKeyLBEBNLFYYIXZPX-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.46
Rot. Bonds4

About N-methyl-2,4-dioxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-6-carboxamide

N-methyl-2,4-dioxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-6-carboxamide (PubChem CID 56888778) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-methyl-2,4-dioxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-2,4-dioxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-6-carboxamide
PubChem CID56888778
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC NameN-methyl-2,4-dioxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-6-carboxamide
SMILESCN(Cc1csc(-c2ccccc2)n1)C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C16H14N4O3S/c1-20(15(22)12-7-13(21)19-16(23)18-12)8-11-9-24-14(17-11)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H2,18,19,21,23)
InChIKeyLBEBNLFYYIXZPX-UHFFFAOYSA-N
XLogP1.46
TPSA98.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 56884558
N,1-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 56888348
N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 56911908
N-methyl-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 56909680
N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 56897241
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 95875737
N'-methyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55103704
N-benzyl-N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 112513822
N-methyl-2-(2-oxoazepan-1-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 56882158
1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109423416
(2S)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-dioxane-2-carboxamide
CID 95893760
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 135899747

Frequently Asked Questions

What is the IUPAC name of N-methyl-2,4-dioxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-methyl-2,4-dioxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-6-carboxamide (CID 56888778) is N-methyl-2,4-dioxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-methyl-2,4-dioxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-methyl-2,4-dioxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-6-carboxamide is CN(Cc1csc(-c2ccccc2)n1)C(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-methyl-2,4-dioxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-6-carboxamide?
The InChIKey is LBEBNLFYYIXZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-20(15(22)12-7-13(21)19-16(23)18-12)8-11-9-24-14(17-11)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H2,18,19,21,23).
What are the key properties of N-methyl-2,4-dioxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-6-carboxamide?
N-methyl-2,4-dioxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-6-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,4-dioxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 56888778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).