5-[(1,1-dioxothiolan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide

C13H15N5O4S — CID 109285324

IUPAC5-[(1,1-dioxothiolan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
SMILESCc1cc(NC(=O)c2cnc(NC3CCS(=O)(=O)C3)cn2)no1
InChIInChI=1S/C13H15N5O4S/c1-8-4-11(18-22-8)17-13(19)10-5-15-12(6-14-10)16-9-2-3-23(20,21)7-9/h4-6,9H,2-3,7H2,1H3,(H,15,16)(H,17,18,19)
InChIKeyXCFCVDKLVZJGSU-UHFFFAOYSA-N
MW337.36 g/mol
LogP0.62
Rot. Bonds4

About 5-[(1,1-dioxothiolan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide

5-[(1,1-dioxothiolan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide (PubChem CID 109285324) has the molecular formula C13H15N5O4S and a molecular weight of 337.36 g/mol. Its IUPAC name is 5-[(1,1-dioxothiolan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(1,1-dioxothiolan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
PubChem CID109285324
Molecular FormulaC13H15N5O4S
Molecular Weight337.36 g/mol
Exact Mass337.08
IUPAC Name5-[(1,1-dioxothiolan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
SMILESCc1cc(NC(=O)c2cnc(NC3CCS(=O)(=O)C3)cn2)no1
InChIInChI=1S/C13H15N5O4S/c1-8-4-11(18-22-8)17-13(19)10-5-15-12(6-14-10)16-9-2-3-23(20,21)7-9/h4-6,9H,2-3,7H2,1H3,(H,15,16)(H,17,18,19)
InChIKeyXCFCVDKLVZJGSU-UHFFFAOYSA-N
XLogP0.62
TPSA127.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-(cyclohexylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109275001
N-(4-acetamidophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
CID 109285306
N-(2,5-dimethoxyphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
CID 109285300
5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109285271
1-N-(1,1-dioxothiolan-3-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109149254
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
CID 109285387
5-(3,5-dichloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294607
N-[(2-chlorophenyl)methyl]-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
CID 109281808
4-N-(1,1-dioxothiolan-3-yl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112921797
[5-[(1,1-dioxothiolan-3-yl)amino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109285251
5-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283221
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109159471

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxothiolan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-[(1,1-dioxothiolan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide (CID 109285324) is 5-[(1,1-dioxothiolan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(1,1-dioxothiolan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(1,1-dioxothiolan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide is Cc1cc(NC(=O)c2cnc(NC3CCS(=O)(=O)C3)cn2)no1.
What is the InChIKey of 5-[(1,1-dioxothiolan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide?
The InChIKey is XCFCVDKLVZJGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O4S/c1-8-4-11(18-22-8)17-13(19)10-5-15-12(6-14-10)16-9-2-3-23(20,21)7-9/h4-6,9H,2-3,7H2,1H3,(H,15,16)(H,17,18,19).
What are the key properties of 5-[(1,1-dioxothiolan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide?
5-[(1,1-dioxothiolan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide has a molecular weight of 337.36 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxothiolan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109285324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).