5-(1-methylsulfanylpropan-2-ylcarbamoyl)pyrazine-2-carboxylic acid

C10H13N3O3S — CID 120685710

IUPAC5-(1-methylsulfanylpropan-2-ylcarbamoyl)pyrazine-2-carboxylic acid
SMILESCSCC(C)NC(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C10H13N3O3S/c1-6(5-17-2)13-9(14)7-3-12-8(4-11-7)10(15)16/h3-4,6H,5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeySEASKCPBDCZHJB-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.66
Rot. Bonds5

About 5-(1-methylsulfanylpropan-2-ylcarbamoyl)pyrazine-2-carboxylic acid

5-(1-methylsulfanylpropan-2-ylcarbamoyl)pyrazine-2-carboxylic acid (PubChem CID 120685710) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 5-(1-methylsulfanylpropan-2-ylcarbamoyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-methylsulfanylpropan-2-ylcarbamoyl)pyrazine-2-carboxylic acid
PubChem CID120685710
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name5-(1-methylsulfanylpropan-2-ylcarbamoyl)pyrazine-2-carboxylic acid
SMILESCSCC(C)NC(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C10H13N3O3S/c1-6(5-17-2)13-9(14)7-3-12-8(4-11-7)10(15)16/h3-4,6H,5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeySEASKCPBDCZHJB-UHFFFAOYSA-N
XLogP0.66
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyrazine-2-carboxamide
CID 107376850
5-(4-methoxybutan-2-ylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685418
5-(1-methylsulfonylpropan-2-ylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685628
5-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685327
5-chloro-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide
CID 107257777
5-carbamothioyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 113472815
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 113472987
5-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
CID 120684984
5-[(3-methyl-1-phenylbutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684810
5-[1-(4-ethylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120684793
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981
5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide
CID 107258262

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylsulfanylpropan-2-ylcarbamoyl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(1-methylsulfanylpropan-2-ylcarbamoyl)pyrazine-2-carboxylic acid (CID 120685710) is 5-(1-methylsulfanylpropan-2-ylcarbamoyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(1-methylsulfanylpropan-2-ylcarbamoyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(1-methylsulfanylpropan-2-ylcarbamoyl)pyrazine-2-carboxylic acid is CSCC(C)NC(=O)c1cnc(C(=O)O)cn1.
What is the InChIKey of 5-(1-methylsulfanylpropan-2-ylcarbamoyl)pyrazine-2-carboxylic acid?
The InChIKey is SEASKCPBDCZHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-6(5-17-2)13-9(14)7-3-12-8(4-11-7)10(15)16/h3-4,6H,5H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 5-(1-methylsulfanylpropan-2-ylcarbamoyl)pyrazine-2-carboxylic acid?
5-(1-methylsulfanylpropan-2-ylcarbamoyl)pyrazine-2-carboxylic acid has a molecular weight of 255.30 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylsulfanylpropan-2-ylcarbamoyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).