3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carbothioamide

C11H11N5S — CID 107585622

IUPAC3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carbothioamide
SMILESCc1cncc(Nc2nccnc2C(N)=S)c1
InChIInChI=1S/C11H11N5S/c1-7-4-8(6-13-5-7)16-11-9(10(12)17)14-2-3-15-11/h2-6H,1H3,(H2,12,17)(H,15,16)
InChIKeyUBSIAUOQCLYPAZ-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.56
Rot. Bonds3

About 3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carbothioamide

3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carbothioamide (PubChem CID 107585622) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carbothioamide.

Molecular Properties

Compound Name3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carbothioamide
PubChem CID107585622
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carbothioamide
SMILESCc1cncc(Nc2nccnc2C(N)=S)c1
InChIInChI=1S/C11H11N5S/c1-7-4-8(6-13-5-7)16-11-9(10(12)17)14-2-3-15-11/h2-6H,1H3,(H2,12,17)(H,15,16)
InChIKeyUBSIAUOQCLYPAZ-UHFFFAOYSA-N
XLogP1.56
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carbothioamide
CID 107585630
3-(3-methylanilino)pyrazine-2-carbothioamide
CID 55103328
3-(4-chloroanilino)pyrazine-2-carbothioamide
CID 62685629
N-[4-[(3-carbamothioylpyrazin-2-yl)amino]phenyl]acetamide
CID 62683421
3-[4-(dimethylamino)anilino]pyrazine-2-carbothioamide
CID 55102849
3-(4-bromo-3-methoxyanilino)pyrazine-2-carbothioamide
CID 82867417
4-[(3-carbamothioylpyrazin-2-yl)amino]benzamide
CID 55103040
3-(4-propan-2-yloxyanilino)pyrazine-2-carbothioamide
CID 62684953
3-[(2-methyl-3-pyridinyl)amino]pyrazine-2-carbothioamide
CID 79043986
2-[(5-methyl-3-pyridinyl)amino]-6-methylsulfanylbenzenecarbothioamide
CID 107585631
4-[(5-methyl-3-pyridinyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 107585632
methyl 5-amino-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxylate
CID 114047485

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carbothioamide?
The IUPAC name of 3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carbothioamide (CID 107585622) is 3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carbothioamide.
What is the SMILES notation for 3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carbothioamide?
The canonical SMILES for 3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carbothioamide is Cc1cncc(Nc2nccnc2C(N)=S)c1.
What is the InChIKey of 3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carbothioamide?
The InChIKey is UBSIAUOQCLYPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c1-7-4-8(6-13-5-7)16-11-9(10(12)17)14-2-3-15-11/h2-6H,1H3,(H2,12,17)(H,15,16).
What are the key properties of 3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carbothioamide?
3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carbothioamide has a molecular weight of 245.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carbothioamide is sourced from PubChem (CID 107585622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).