4-amino-N-methyl-1H-imidazole-5-carbothioamide

C5H8N4S — CID 2771326

IUPAC4-amino-N-methyl-1H-imidazole-5-carbothioamide
SMILESCNC(=S)c1[nH]cnc1N
InChIInChI=1S/C5H8N4S/c1-7-5(10)3-4(6)9-2-8-3/h2H,6H2,1H3,(H,7,10)(H,8,9)
InChIKeyBWONIEUASUFNCV-UHFFFAOYSA-N
MW156.21 g/mol
LogP-0.11
Rot. Bonds1

About 4-amino-N-methyl-1H-imidazole-5-carbothioamide

4-amino-N-methyl-1H-imidazole-5-carbothioamide (PubChem CID 2771326) has the molecular formula C5H8N4S and a molecular weight of 156.21 g/mol. Its IUPAC name is 4-amino-N-methyl-1H-imidazole-5-carbothioamide.

Molecular Properties

Compound Name4-amino-N-methyl-1H-imidazole-5-carbothioamide
PubChem CID2771326
Molecular FormulaC5H8N4S
Molecular Weight156.21 g/mol
Exact Mass156.05
IUPAC Name4-amino-N-methyl-1H-imidazole-5-carbothioamide
SMILESCNC(=S)c1[nH]cnc1N
InChIInChI=1S/C5H8N4S/c1-7-5(10)3-4(6)9-2-8-3/h2H,6H2,1H3,(H,7,10)(H,8,9)
InChIKeyBWONIEUASUFNCV-UHFFFAOYSA-N
XLogP-0.11
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 4-amino-N-methyl-1H-imidazole-5-carbothioamide?
The IUPAC name of 4-amino-N-methyl-1H-imidazole-5-carbothioamide (CID 2771326) is 4-amino-N-methyl-1H-imidazole-5-carbothioamide.
What is the SMILES notation for 4-amino-N-methyl-1H-imidazole-5-carbothioamide?
The canonical SMILES for 4-amino-N-methyl-1H-imidazole-5-carbothioamide is CNC(=S)c1[nH]cnc1N.
What is the InChIKey of 4-amino-N-methyl-1H-imidazole-5-carbothioamide?
The InChIKey is BWONIEUASUFNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4S/c1-7-5(10)3-4(6)9-2-8-3/h2H,6H2,1H3,(H,7,10)(H,8,9).
What are the key properties of 4-amino-N-methyl-1H-imidazole-5-carbothioamide?
4-amino-N-methyl-1H-imidazole-5-carbothioamide has a molecular weight of 156.21 g/mol, XLogP of -0.11, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-1H-imidazole-5-carbothioamide is sourced from PubChem (CID 2771326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).