5,5-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]thian-3-amine

C12H20N2S2 — CID 79959217

IUPAC5,5-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]thian-3-amine
SMILESCC1(C)CSCC(NCCc2cscn2)C1
InChIInChI=1S/C12H20N2S2/c1-12(2)5-11(7-15-8-12)13-4-3-10-6-16-9-14-10/h6,9,11,13H,3-5,7-8H2,1-2H3
InChIKeyHICSECHZEPNKMH-UHFFFAOYSA-N
MW256.44 g/mol
LogP2.81
Rot. Bonds4

About 5,5-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]thian-3-amine

5,5-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]thian-3-amine (PubChem CID 79959217) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is 5,5-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]thian-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]thian-3-amine
PubChem CID79959217
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC Name5,5-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]thian-3-amine
SMILESCC1(C)CSCC(NCCc2cscn2)C1
InChIInChI=1S/C12H20N2S2/c1-12(2)5-11(7-15-8-12)13-4-3-10-6-16-9-14-10/h6,9,11,13H,3-5,7-8H2,1-2H3
InChIKeyHICSECHZEPNKMH-UHFFFAOYSA-N
XLogP2.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,5-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]thian-3-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 5,5-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]thian-3-amine?
The IUPAC name of 5,5-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]thian-3-amine (CID 79959217) is 5,5-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]thian-3-amine.
What is the SMILES notation for 5,5-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]thian-3-amine?
The canonical SMILES for 5,5-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]thian-3-amine is CC1(C)CSCC(NCCc2cscn2)C1.
What is the InChIKey of 5,5-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]thian-3-amine?
The InChIKey is HICSECHZEPNKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-12(2)5-11(7-15-8-12)13-4-3-10-6-16-9-14-10/h6,9,11,13H,3-5,7-8H2,1-2H3.
What are the key properties of 5,5-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]thian-3-amine?
5,5-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]thian-3-amine has a molecular weight of 256.44 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]thian-3-amine is sourced from PubChem (CID 79959217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).