N-(2-imidazol-1-ylethyl)thian-4-amine

C10H17N3S — CID 60664390

IUPACN-(2-imidazol-1-ylethyl)thian-4-amine
SMILESc1cn(CCNC2CCSCC2)cn1
InChIInChI=1S/C10H17N3S/c1-7-14-8-2-10(1)12-4-6-13-5-3-11-9-13/h3,5,9-10,12H,1-2,4,6-8H2
InChIKeyKLHBYYTXPHZDPN-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.37
Rot. Bonds4

About N-(2-imidazol-1-ylethyl)thian-4-amine

N-(2-imidazol-1-ylethyl)thian-4-amine (PubChem CID 60664390) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)thian-4-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)thian-4-amine
PubChem CID60664390
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-(2-imidazol-1-ylethyl)thian-4-amine
SMILESc1cn(CCNC2CCSCC2)cn1
InChIInChI=1S/C10H17N3S/c1-7-14-8-2-10(1)12-4-6-13-5-3-11-9-13/h3,5,9-10,12H,1-2,4,6-8H2
InChIKeyKLHBYYTXPHZDPN-UHFFFAOYSA-N
XLogP1.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-imidazol-1-ylethyl)thian-4-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-(2-imidazol-1-ylethyl)thian-4-amine?
The IUPAC name of N-(2-imidazol-1-ylethyl)thian-4-amine (CID 60664390) is N-(2-imidazol-1-ylethyl)thian-4-amine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)thian-4-amine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)thian-4-amine is c1cn(CCNC2CCSCC2)cn1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)thian-4-amine?
The InChIKey is KLHBYYTXPHZDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-7-14-8-2-10(1)12-4-6-13-5-3-11-9-13/h3,5,9-10,12H,1-2,4,6-8H2.
What are the key properties of N-(2-imidazol-1-ylethyl)thian-4-amine?
N-(2-imidazol-1-ylethyl)thian-4-amine has a molecular weight of 211.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)thian-4-amine is sourced from PubChem (CID 60664390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).