5-carbamothioyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide

C11H15N3OS2 — CID 113472815

IUPAC5-carbamothioyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
SMILESCSCC(C)NC(=O)c1ccc(C(N)=S)cn1
InChIInChI=1S/C11H15N3OS2/c1-7(6-17-2)14-11(15)9-4-3-8(5-13-9)10(12)16/h3-5,7H,6H2,1-2H3,(H2,12,16)(H,14,15)
InChIKeyMBSFDZLJUQVFNK-UHFFFAOYSA-N
MW269.40 g/mol
LogP1.20
Rot. Bonds5

About 5-carbamothioyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide

5-carbamothioyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide (PubChem CID 113472815) has the molecular formula C11H15N3OS2 and a molecular weight of 269.40 g/mol. Its IUPAC name is 5-carbamothioyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
PubChem CID113472815
Molecular FormulaC11H15N3OS2
Molecular Weight269.40 g/mol
Exact Mass269.07
IUPAC Name5-carbamothioyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
SMILESCSCC(C)NC(=O)c1ccc(C(N)=S)cn1
InChIInChI=1S/C11H15N3OS2/c1-7(6-17-2)14-11(15)9-4-3-8(5-13-9)10(12)16/h3-5,7H,6H2,1-2H3,(H2,12,16)(H,14,15)
InChIKeyMBSFDZLJUQVFNK-UHFFFAOYSA-N
XLogP1.20
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.40
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 113472987
5-carbamothioyl-N-heptan-2-ylpyridine-2-carboxamide
CID 63750456
N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-carbamothioylpyridine-2-carboxamide
CID 106345629
5-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 63748666
5-carbamothioyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 106281493
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981
2-N,5-N-bis[(2S)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844984
5-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 103110414
5-(1-methylsulfanylpropan-2-ylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685710
5-carbamothioyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide
CID 63748667
5-carbamothioyl-N-(3-methylpentan-3-yl)pyridine-2-carboxamide
CID 106329081
N-butan-2-yl-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 76951882

Frequently Asked Questions

What is the IUPAC name of 5-carbamothioyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide (CID 113472815) is 5-carbamothioyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide is CSCC(C)NC(=O)c1ccc(C(N)=S)cn1.
What is the InChIKey of 5-carbamothioyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide?
The InChIKey is MBSFDZLJUQVFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS2/c1-7(6-17-2)14-11(15)9-4-3-8(5-13-9)10(12)16/h3-5,7H,6H2,1-2H3,(H2,12,16)(H,14,15).
What are the key properties of 5-carbamothioyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide?
5-carbamothioyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide has a molecular weight of 269.40 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 113472815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).