5-amino-3-methylpyrazole-1-carbothioamide

C5H8N4S — CID 102476487

IUPAC5-amino-3-methylpyrazole-1-carbothioamide
SMILESCc1cc(N)n(C(N)=S)n1
InChIInChI=1S/C5H8N4S/c1-3-2-4(6)9(8-3)5(7)10/h2H,6H2,1H3,(H2,7,10)
InChIKeyRRBPULWPXBFFQU-UHFFFAOYSA-N
MW156.21 g/mol
LogP-0.13
Rot. Bonds

About 5-amino-3-methylpyrazole-1-carbothioamide

5-amino-3-methylpyrazole-1-carbothioamide (PubChem CID 102476487) has the molecular formula C5H8N4S and a molecular weight of 156.21 g/mol. Its IUPAC name is 5-amino-3-methylpyrazole-1-carbothioamide.

Molecular Properties

Compound Name5-amino-3-methylpyrazole-1-carbothioamide
PubChem CID102476487
Molecular FormulaC5H8N4S
Molecular Weight156.21 g/mol
Exact Mass156.05
IUPAC Name5-amino-3-methylpyrazole-1-carbothioamide
SMILESCc1cc(N)n(C(N)=S)n1
InChIInChI=1S/C5H8N4S/c1-3-2-4(6)9(8-3)5(7)10/h2H,6H2,1H3,(H2,7,10)
InChIKeyRRBPULWPXBFFQU-UHFFFAOYSA-N
XLogP-0.13
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methylpyrazole-1-carbothioamide?
The IUPAC name of 5-amino-3-methylpyrazole-1-carbothioamide (CID 102476487) is 5-amino-3-methylpyrazole-1-carbothioamide.
What is the SMILES notation for 5-amino-3-methylpyrazole-1-carbothioamide?
The canonical SMILES for 5-amino-3-methylpyrazole-1-carbothioamide is Cc1cc(N)n(C(N)=S)n1.
What is the InChIKey of 5-amino-3-methylpyrazole-1-carbothioamide?
The InChIKey is RRBPULWPXBFFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4S/c1-3-2-4(6)9(8-3)5(7)10/h2H,6H2,1H3,(H2,7,10).
What are the key properties of 5-amino-3-methylpyrazole-1-carbothioamide?
5-amino-3-methylpyrazole-1-carbothioamide has a molecular weight of 156.21 g/mol, XLogP of -0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methylpyrazole-1-carbothioamide is sourced from PubChem (CID 102476487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).