N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide

C15H16N6O2S2 — CID 72873740

IUPACN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1ncc(CNC(=O)c2cnc(-c3csc(C)n3)[nH]c2=O)n1C
InChIInChI=1S/C15H16N6O2S2/c1-8-19-11(7-25-8)12-16-6-10(14(23)20-12)13(22)17-4-9-5-18-15(24-3)21(9)2/h5-7H,4H2,1-3H3,(H,17,22)(H,16,20,23)
InChIKeyVMAPFTVTNJYBSI-UHFFFAOYSA-N
MW376.47 g/mol
LogP1.59
Rot. Bonds5

About N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide

N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 72873740) has the molecular formula C15H16N6O2S2 and a molecular weight of 376.47 g/mol. Its IUPAC name is N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID72873740
Molecular FormulaC15H16N6O2S2
Molecular Weight376.47 g/mol
Exact Mass376.08
IUPAC NameN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1ncc(CNC(=O)c2cnc(-c3csc(C)n3)[nH]c2=O)n1C
InChIInChI=1S/C15H16N6O2S2/c1-8-19-11(7-25-8)12-16-6-10(14(23)20-12)13(22)17-4-9-5-18-15(24-3)21(9)2/h5-7H,4H2,1-3H3,(H,17,22)(H,16,20,23)
InChIKeyVMAPFTVTNJYBSI-UHFFFAOYSA-N
XLogP1.59
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 72873740) is N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide is CSc1ncc(CNC(=O)c2cnc(-c3csc(C)n3)[nH]c2=O)n1C.
What is the InChIKey of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is VMAPFTVTNJYBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S2/c1-8-19-11(7-25-8)12-16-6-10(14(23)20-12)13(22)17-4-9-5-18-15(24-3)21(9)2/h5-7H,4H2,1-3H3,(H,17,22)(H,16,20,23).
What are the key properties of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 376.47 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72873740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).