N-ethyl-4-(ethylsulfanylmethyl)thiadiazol-5-amine

C7H13N3S2 — CID 62188028

IUPACN-ethyl-4-(ethylsulfanylmethyl)thiadiazol-5-amine
SMILESCCNc1snnc1CSCC
InChIInChI=1S/C7H13N3S2/c1-3-8-7-6(5-11-4-2)9-10-12-7/h8H,3-5H2,1-2H3
InChIKeyOFQOJVYRNNADQV-UHFFFAOYSA-N
MW203.34 g/mol
LogP2.22
Rot. Bonds5

About N-ethyl-4-(ethylsulfanylmethyl)thiadiazol-5-amine

N-ethyl-4-(ethylsulfanylmethyl)thiadiazol-5-amine (PubChem CID 62188028) has the molecular formula C7H13N3S2 and a molecular weight of 203.34 g/mol. Its IUPAC name is N-ethyl-4-(ethylsulfanylmethyl)thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-(ethylsulfanylmethyl)thiadiazol-5-amine
PubChem CID62188028
Molecular FormulaC7H13N3S2
Molecular Weight203.34 g/mol
Exact Mass203.06
IUPAC NameN-ethyl-4-(ethylsulfanylmethyl)thiadiazol-5-amine
SMILESCCNc1snnc1CSCC
InChIInChI=1S/C7H13N3S2/c1-3-8-7-6(5-11-4-2)9-10-12-7/h8H,3-5H2,1-2H3
InChIKeyOFQOJVYRNNADQV-UHFFFAOYSA-N
XLogP2.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-4-(ethylsulfanylmethyl)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-ethyl-4-(ethylsulfanylmethyl)thiadiazol-5-amine?
The IUPAC name of N-ethyl-4-(ethylsulfanylmethyl)thiadiazol-5-amine (CID 62188028) is N-ethyl-4-(ethylsulfanylmethyl)thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-4-(ethylsulfanylmethyl)thiadiazol-5-amine?
The canonical SMILES for N-ethyl-4-(ethylsulfanylmethyl)thiadiazol-5-amine is CCNc1snnc1CSCC.
What is the InChIKey of N-ethyl-4-(ethylsulfanylmethyl)thiadiazol-5-amine?
The InChIKey is OFQOJVYRNNADQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S2/c1-3-8-7-6(5-11-4-2)9-10-12-7/h8H,3-5H2,1-2H3.
What are the key properties of N-ethyl-4-(ethylsulfanylmethyl)thiadiazol-5-amine?
N-ethyl-4-(ethylsulfanylmethyl)thiadiazol-5-amine has a molecular weight of 203.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(ethylsulfanylmethyl)thiadiazol-5-amine is sourced from PubChem (CID 62188028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).