N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylthiolan-3-amine

C8H12ClN3S2 — CID 43625561

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-N-methylthiolan-3-amine
SMILESCN(Cc1nnsc1Cl)C1CCSC1
InChIInChI=1S/C8H12ClN3S2/c1-12(6-2-3-13-5-6)4-7-8(9)14-11-10-7/h6H,2-5H2,1H3
InChIKeyXEUGGNMCDKPXHT-UHFFFAOYSA-N
MW249.79 g/mol
LogP2.13
Rot. Bonds3

About N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylthiolan-3-amine

N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylthiolan-3-amine (PubChem CID 43625561) has the molecular formula C8H12ClN3S2 and a molecular weight of 249.79 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-methylthiolan-3-amine
PubChem CID43625561
Molecular FormulaC8H12ClN3S2
Molecular Weight249.79 g/mol
Exact Mass249.02
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-methylthiolan-3-amine
SMILESCN(Cc1nnsc1Cl)C1CCSC1
InChIInChI=1S/C8H12ClN3S2/c1-12(6-2-3-13-5-6)4-7-8(9)14-11-10-7/h6H,2-5H2,1H3
InChIKeyXEUGGNMCDKPXHT-UHFFFAOYSA-N
XLogP2.13
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.79
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylthiolan-3-amine (CID 43625561) is N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylthiolan-3-amine is CN(Cc1nnsc1Cl)C1CCSC1.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylthiolan-3-amine?
The InChIKey is XEUGGNMCDKPXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3S2/c1-12(6-2-3-13-5-6)4-7-8(9)14-11-10-7/h6H,2-5H2,1H3.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylthiolan-3-amine?
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylthiolan-3-amine has a molecular weight of 249.79 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 43625561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).