4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine

C11H19N3OS2 — CID 107299145

IUPAC4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NCC1CCSC1
InChIInChI=1S/C11H19N3OS2/c1-7(2)15-9-10(12)14-17-11(9)13-5-8-3-4-16-6-8/h7-8,13H,3-6H2,1-2H3,(H2,12,14)
InChIKeyKSGAWQAGGASELD-UHFFFAOYSA-N
MW273.43 g/mol
LogP2.68
Rot. Bonds5

About 4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine

4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 107299145) has the molecular formula C11H19N3OS2 and a molecular weight of 273.43 g/mol. Its IUPAC name is 4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID107299145
Molecular FormulaC11H19N3OS2
Molecular Weight273.43 g/mol
Exact Mass273.10
IUPAC Name4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NCC1CCSC1
InChIInChI=1S/C11H19N3OS2/c1-7(2)15-9-10(12)14-17-11(9)13-5-8-3-4-16-6-8/h7-8,13H,3-6H2,1-2H3,(H2,12,14)
InChIKeyKSGAWQAGGASELD-UHFFFAOYSA-N
XLogP2.68
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine 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 4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine (CID 107299145) is 4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine is CC(C)Oc1c(N)nsc1NCC1CCSC1.
What is the InChIKey of 4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is KSGAWQAGGASELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS2/c1-7(2)15-9-10(12)14-17-11(9)13-5-8-3-4-16-6-8/h7-8,13H,3-6H2,1-2H3,(H2,12,14).
What are the key properties of 4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine?
4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 273.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 107299145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).