N-(thian-2-ylmethyl)-1,2,4-thiadiazol-5-amine

C8H13N3S2 — CID 80612005

IUPACN-(thian-2-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NCC2CCCCS2)n1
InChIInChI=1S/C8H13N3S2/c1-2-4-12-7(3-1)5-9-8-10-6-11-13-8/h6-7H,1-5H2,(H,9,10,11)
InChIKeyHWJFKMQZNJPVAD-UHFFFAOYSA-N
MW215.35 g/mol
LogP2.24
Rot. Bonds3

About N-(thian-2-ylmethyl)-1,2,4-thiadiazol-5-amine

N-(thian-2-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 80612005) has the molecular formula C8H13N3S2 and a molecular weight of 215.35 g/mol. Its IUPAC name is N-(thian-2-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(thian-2-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID80612005
Molecular FormulaC8H13N3S2
Molecular Weight215.35 g/mol
Exact Mass215.06
IUPAC NameN-(thian-2-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NCC2CCCCS2)n1
InChIInChI=1S/C8H13N3S2/c1-2-4-12-7(3-1)5-9-8-10-6-11-13-8/h6-7H,1-5H2,(H,9,10,11)
InChIKeyHWJFKMQZNJPVAD-UHFFFAOYSA-N
XLogP2.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(thian-2-ylmethyl)-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-(thian-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(thian-2-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 80612005) is N-(thian-2-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(thian-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(thian-2-ylmethyl)-1,2,4-thiadiazol-5-amine is c1nsc(NCC2CCCCS2)n1.
What is the InChIKey of N-(thian-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is HWJFKMQZNJPVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S2/c1-2-4-12-7(3-1)5-9-8-10-6-11-13-8/h6-7H,1-5H2,(H,9,10,11).
What are the key properties of N-(thian-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
N-(thian-2-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 215.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-2-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 80612005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).