(2-amino-6-sulfanylidene-1H-pyrimidin-4-yl) carbamimidothioate

C5H7N5S2 — CID 14893050

IUPAC(2-amino-6-sulfanylidene-1H-pyrimidin-4-yl) carbamimidothioate
SMILES[H]/N=C(\N)Sc1cc(=S)[nH]c(N)n1
InChIInChI=1S/C5H7N5S2/c6-4(7)12-3-1-2(11)9-5(8)10-3/h1H,(H3,6,7)(H3,8,9,10,11)
InChIKeyCEPVTEWKUXOXAN-UHFFFAOYSA-N
MW201.28 g/mol
LogP0.71
Rot. Bonds1

About (2-amino-6-sulfanylidene-1H-pyrimidin-4-yl) carbamimidothioate

(2-amino-6-sulfanylidene-1H-pyrimidin-4-yl) carbamimidothioate (PubChem CID 14893050) has the molecular formula C5H7N5S2 and a molecular weight of 201.28 g/mol. Its IUPAC name is (2-amino-6-sulfanylidene-1H-pyrimidin-4-yl) carbamimidothioate.

Molecular Properties

Compound Name(2-amino-6-sulfanylidene-1H-pyrimidin-4-yl) carbamimidothioate
PubChem CID14893050
Molecular FormulaC5H7N5S2
Molecular Weight201.28 g/mol
Exact Mass201.01
IUPAC Name(2-amino-6-sulfanylidene-1H-pyrimidin-4-yl) carbamimidothioate
SMILES[H]/N=C(\N)Sc1cc(=S)[nH]c(N)n1
InChIInChI=1S/C5H7N5S2/c6-4(7)12-3-1-2(11)9-5(8)10-3/h1H,(H3,6,7)(H3,8,9,10,11)
InChIKeyCEPVTEWKUXOXAN-UHFFFAOYSA-N
XLogP0.71
TPSA104.57 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (2-amino-6-sulfanylidene-1H-pyrimidin-4-yl) carbamimidothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-Pyrimidinedithiol, 2-amino-
CID 3034501
2-amino-4-methylsulfanyl-1H-pyrimidine-6-thione
CID 150371826
[amino-[(2-amino-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium chloride
CID 118856227
(6-sulfanylidene-1H-pyrimidin-4-yl) carbamimidothioate
CID 130804209

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-sulfanylidene-1H-pyrimidin-4-yl) carbamimidothioate?
The IUPAC name of (2-amino-6-sulfanylidene-1H-pyrimidin-4-yl) carbamimidothioate (CID 14893050) is (2-amino-6-sulfanylidene-1H-pyrimidin-4-yl) carbamimidothioate.
What is the SMILES notation for (2-amino-6-sulfanylidene-1H-pyrimidin-4-yl) carbamimidothioate?
The canonical SMILES for (2-amino-6-sulfanylidene-1H-pyrimidin-4-yl) carbamimidothioate is [H]/N=C(\N)Sc1cc(=S)[nH]c(N)n1.
What is the InChIKey of (2-amino-6-sulfanylidene-1H-pyrimidin-4-yl) carbamimidothioate?
The InChIKey is CEPVTEWKUXOXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5S2/c6-4(7)12-3-1-2(11)9-5(8)10-3/h1H,(H3,6,7)(H3,8,9,10,11).
What are the key properties of (2-amino-6-sulfanylidene-1H-pyrimidin-4-yl) carbamimidothioate?
(2-amino-6-sulfanylidene-1H-pyrimidin-4-yl) carbamimidothioate has a molecular weight of 201.28 g/mol, XLogP of 0.71, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-sulfanylidene-1H-pyrimidin-4-yl) carbamimidothioate is sourced from PubChem (CID 14893050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).