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

C12H20N2OS — CID 63296571

IUPAC5-cyclopropyl-N-(oxan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1COCC(CNC2=NCC(C3CC3)S2)C1
InChIInChI=1S/C12H20N2OS/c1-2-9(8-15-5-1)6-13-12-14-7-11(16-12)10-3-4-10/h9-11H,1-8H2,(H,13,14)
InChIKeyTUQCWBACWSEFGM-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.88
Rot. Bonds3

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

5-cyclopropyl-N-(oxan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63296571) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 5-cyclopropyl-N-(oxan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(oxan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63296571
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name5-cyclopropyl-N-(oxan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1COCC(CNC2=NCC(C3CC3)S2)C1
InChIInChI=1S/C12H20N2OS/c1-2-9(8-15-5-1)6-13-12-14-7-11(16-12)10-3-4-10/h9-11H,1-8H2,(H,13,14)
InChIKeyTUQCWBACWSEFGM-UHFFFAOYSA-N
XLogP1.88
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpropyl)-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61251135
N-(oxan-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 61868546
N-(oxan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61868547
5-methyl-N-(oxan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61868750
5-cyclopropyl-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296248
5-cyclopropyl-N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296427
5-cyclopropyl-N-(4-methoxybutyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296524
5-cyclopropyl-N-(3-ethoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296603
5-cyclopropyl-N-(3-methoxy-2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296616
5-cyclopropyl-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63297057
5-cyclopropyl-N-(oxan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63363535
N-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63711753

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(oxan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-(oxan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 63296571) is 5-cyclopropyl-N-(oxan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-(oxan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-(oxan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is C1COCC(CNC2=NCC(C3CC3)S2)C1.
What is the InChIKey of 5-cyclopropyl-N-(oxan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is TUQCWBACWSEFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-2-9(8-15-5-1)6-13-12-14-7-11(16-12)10-3-4-10/h9-11H,1-8H2,(H,13,14).
What are the key properties of 5-cyclopropyl-N-(oxan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-(oxan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 240.37 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(oxan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63296571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).