2-[(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C11H12N4O3S2 — CID 3220552

IUPAC2-[(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CSc2nc(O)c(C)c(=O)[nH]2)n1
InChIInChI=1S/C11H12N4O3S2/c1-5-3-19-10(12-5)13-7(16)4-20-11-14-8(17)6(2)9(18)15-11/h3H,4H2,1-2H3,(H,12,13,16)(H2,14,15,17,18)
InChIKeyKSMXOAHDLJVWES-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.28
Rot. Bonds4

About 2-[(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 3220552) has the molecular formula C11H12N4O3S2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-[(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID3220552
Molecular FormulaC11H12N4O3S2
Molecular Weight312.38 g/mol
Exact Mass312.04
IUPAC Name2-[(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CSc2nc(O)c(C)c(=O)[nH]2)n1
InChIInChI=1S/C11H12N4O3S2/c1-5-3-19-10(12-5)13-7(16)4-20-11-14-8(17)6(2)9(18)15-11/h3H,4H2,1-2H3,(H,12,13,16)(H2,14,15,17,18)
InChIKeyKSMXOAHDLJVWES-UHFFFAOYSA-N
XLogP1.28
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-Acetamido-4-methylthiazole
CID 280907
N-(4-methylthiazol-2-yl)propionamide
CID 3613666
2-((5-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
CID 7184030
2-((4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
CID 7196678
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]propanamide
CID 14962263
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 14962264
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 14962265
N-(4-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 2421541
3-methyl-N-[(2Z)-4-methyl-1,3-thiazol-2(3H)-ylidene]-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4074613
N-(4-methylthiazol-2-yl)-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4200863
2-((4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
CID 135561553
2-Acetamido-4-methylthiomethylthiazole
CID 47263059

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 3220552) is 2-[(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CSc2nc(O)c(C)c(=O)[nH]2)n1.
What is the InChIKey of 2-[(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is KSMXOAHDLJVWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S2/c1-5-3-19-10(12-5)13-7(16)4-20-11-14-8(17)6(2)9(18)15-11/h3H,4H2,1-2H3,(H,12,13,16)(H2,14,15,17,18).
What are the key properties of 2-[(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 312.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3220552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).