5-cyclopropyl-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine

C11H18N2OS — CID 63297057

IUPAC5-cyclopropyl-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1CC(CNC2=NCC(C3CC3)S2)CO1
InChIInChI=1S/C11H18N2OS/c1-2-9(1)10-6-13-11(15-10)12-5-8-3-4-14-7-8/h8-10H,1-7H2,(H,12,13)
InChIKeyJITGUWVDHLBMOW-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.49
Rot. Bonds3

About 5-cyclopropyl-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine

5-cyclopropyl-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63297057) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 5-cyclopropyl-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63297057
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name5-cyclopropyl-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1CC(CNC2=NCC(C3CC3)S2)CO1
InChIInChI=1S/C11H18N2OS/c1-2-9(1)10-6-13-11(15-10)12-5-8-3-4-14-7-8/h8-10H,1-7H2,(H,12,13)
InChIKeyJITGUWVDHLBMOW-UHFFFAOYSA-N
XLogP1.49
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 63297057) is 5-cyclopropyl-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is C1CC(CNC2=NCC(C3CC3)S2)CO1.
What is the InChIKey of 5-cyclopropyl-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is JITGUWVDHLBMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-2-9(1)10-6-13-11(15-10)12-5-8-3-4-14-7-8/h8-10H,1-7H2,(H,12,13).
What are the key properties of 5-cyclopropyl-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 226.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63297057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).