5-pentan-3-yl-N-(thiolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine

C13H24N2S2 — CID 106285741

IUPAC5-pentan-3-yl-N-(thiolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NCC2CCSC2)S1
InChIInChI=1S/C13H24N2S2/c1-3-11(4-2)12-8-15-13(17-12)14-7-10-5-6-16-9-10/h10-12H,3-9H2,1-2H3,(H,14,15)
InChIKeyNHDVVAMYTORKCZ-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.24
Rot. Bonds5

About 5-pentan-3-yl-N-(thiolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine

5-pentan-3-yl-N-(thiolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106285741) has the molecular formula C13H24N2S2 and a molecular weight of 272.48 g/mol. Its IUPAC name is 5-pentan-3-yl-N-(thiolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-pentan-3-yl-N-(thiolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106285741
Molecular FormulaC13H24N2S2
Molecular Weight272.48 g/mol
Exact Mass272.14
IUPAC Name5-pentan-3-yl-N-(thiolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NCC2CCSC2)S1
InChIInChI=1S/C13H24N2S2/c1-3-11(4-2)12-8-15-13(17-12)14-7-10-5-6-16-9-10/h10-12H,3-9H2,1-2H3,(H,14,15)
InChIKeyNHDVVAMYTORKCZ-UHFFFAOYSA-N
XLogP3.24
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pentan-3-yl-N-(thiolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-pentan-3-yl-N-(thiolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 106285741) is 5-pentan-3-yl-N-(thiolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-pentan-3-yl-N-(thiolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-pentan-3-yl-N-(thiolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(NCC2CCSC2)S1.
What is the InChIKey of 5-pentan-3-yl-N-(thiolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is NHDVVAMYTORKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S2/c1-3-11(4-2)12-8-15-13(17-12)14-7-10-5-6-16-9-10/h10-12H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 5-pentan-3-yl-N-(thiolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-pentan-3-yl-N-(thiolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 272.48 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-3-yl-N-(thiolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106285741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).