N-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine

C13H20N2OS2 — CID 75434495

IUPACN-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
SMILESc1csc(CN(CC2CCCO2)C2CCSC2)n1
InChIInChI=1S/C13H20N2OS2/c1-2-12(16-5-1)8-15(11-3-6-17-10-11)9-13-14-4-7-18-13/h4,7,11-12H,1-3,5-6,8-10H2
InChIKeyDKRIXOQKGBHLAU-UHFFFAOYSA-N
MW284.45 g/mol
LogP2.63
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine

N-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine (PubChem CID 75434495) has the molecular formula C13H20N2OS2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
PubChem CID75434495
Molecular FormulaC13H20N2OS2
Molecular Weight284.45 g/mol
Exact Mass284.10
IUPAC NameN-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
SMILESc1csc(CN(CC2CCCO2)C2CCSC2)n1
InChIInChI=1S/C13H20N2OS2/c1-2-12(16-5-1)8-15(11-3-6-17-10-11)9-13-14-4-7-18-13/h4,7,11-12H,1-3,5-6,8-10H2
InChIKeyDKRIXOQKGBHLAU-UHFFFAOYSA-N
XLogP2.63
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine (CID 75434495) is N-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine is c1csc(CN(CC2CCCO2)C2CCSC2)n1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine?
The InChIKey is DKRIXOQKGBHLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS2/c1-2-12(16-5-1)8-15(11-3-6-17-10-11)9-13-14-4-7-18-13/h4,7,11-12H,1-3,5-6,8-10H2.
What are the key properties of N-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine?
N-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine has a molecular weight of 284.45 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 75434495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).