N-(1,1-dioxothian-4-yl)-4-ethyl-1,3-thiazol-2-amine

C10H16N2O2S2 — CID 62963182

IUPACN-(1,1-dioxothian-4-yl)-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(NC2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C10H16N2O2S2/c1-2-8-7-15-10(11-8)12-9-3-5-16(13,14)6-4-9/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyYQYNJFIZASTRDM-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.69
Rot. Bonds3

About N-(1,1-dioxothian-4-yl)-4-ethyl-1,3-thiazol-2-amine

N-(1,1-dioxothian-4-yl)-4-ethyl-1,3-thiazol-2-amine (PubChem CID 62963182) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-4-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-4-ethyl-1,3-thiazol-2-amine
PubChem CID62963182
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC NameN-(1,1-dioxothian-4-yl)-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(NC2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C10H16N2O2S2/c1-2-8-7-15-10(11-8)12-9-3-5-16(13,14)6-4-9/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyYQYNJFIZASTRDM-UHFFFAOYSA-N
XLogP1.69
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxothian-4-yl)-4-ethyl-1,3-thiazol-2-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-(1,1-dioxothian-4-yl)-4-ethyl-1,3-thiazol-2-amine?
The IUPAC name of N-(1,1-dioxothian-4-yl)-4-ethyl-1,3-thiazol-2-amine (CID 62963182) is N-(1,1-dioxothian-4-yl)-4-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-4-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-4-ethyl-1,3-thiazol-2-amine is CCc1csc(NC2CCS(=O)(=O)CC2)n1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-4-ethyl-1,3-thiazol-2-amine?
The InChIKey is YQYNJFIZASTRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-2-8-7-15-10(11-8)12-9-3-5-16(13,14)6-4-9/h7,9H,2-6H2,1H3,(H,11,12).
What are the key properties of N-(1,1-dioxothian-4-yl)-4-ethyl-1,3-thiazol-2-amine?
N-(1,1-dioxothian-4-yl)-4-ethyl-1,3-thiazol-2-amine has a molecular weight of 260.38 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-4-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62963182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).