N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2,4-thiadiazol-5-amine

C6H9N5S — CID 142653352

IUPACN-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NC2=NCCCN2)n1
InChIInChI=1S/C6H9N5S/c1-2-7-5(8-3-1)11-6-9-4-10-12-6/h4H,1-3H2,(H2,7,8,9,10,11)
InChIKeyKAURXWDZOMBGEA-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.30
Rot. Bonds1

About N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2,4-thiadiazol-5-amine

N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 142653352) has the molecular formula C6H9N5S and a molecular weight of 183.24 g/mol. Its IUPAC name is N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID142653352
Molecular FormulaC6H9N5S
Molecular Weight183.24 g/mol
Exact Mass183.06
IUPAC NameN-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NC2=NCCCN2)n1
InChIInChI=1S/C6H9N5S/c1-2-7-5(8-3-1)11-6-9-4-10-12-6/h4H,1-3H2,(H2,7,8,9,10,11)
InChIKeyKAURXWDZOMBGEA-UHFFFAOYSA-N
XLogP0.30
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2,4-thiadiazol-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2,4-thiadiazol-5-amine (CID 142653352) is N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2,4-thiadiazol-5-amine is c1nsc(NC2=NCCCN2)n1.
What is the InChIKey of N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KAURXWDZOMBGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5S/c1-2-7-5(8-3-1)11-6-9-4-10-12-6/h4H,1-3H2,(H2,7,8,9,10,11).
What are the key properties of N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2,4-thiadiazol-5-amine?
N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 183.24 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 142653352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).