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

C12H20N2OS — CID 63711934

IUPAC5-cyclopropyl-N-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1CC(CNC2=NCC(C3CC3)S2)CCO1
InChIInChI=1S/C12H20N2OS/c1-2-10(1)11-8-14-12(16-11)13-7-9-3-5-15-6-4-9/h9-11H,1-8H2,(H,13,14)
InChIKeyGIWITHYYVRBBKF-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.88
Rot. Bonds3

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

5-cyclopropyl-N-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63711934) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 5-cyclopropyl-N-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63711934
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name5-cyclopropyl-N-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1CC(CNC2=NCC(C3CC3)S2)CCO1
InChIInChI=1S/C12H20N2OS/c1-2-10(1)11-8-14-12(16-11)13-7-9-3-5-15-6-4-9/h9-11H,1-8H2,(H,13,14)
InChIKeyGIWITHYYVRBBKF-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
N-(oxolan-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 62824362
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-(oxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296435
5-cyclopropyl-N-(4-methoxybutyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296524
5-cyclopropyl-N-(oxan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296571
5-cyclopropyl-N-[2-(3-methylbutoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63296576
N-(2-butoxyethyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63296577

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 63711934) is 5-cyclopropyl-N-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is C1CC(CNC2=NCC(C3CC3)S2)CCO1.
What is the InChIKey of 5-cyclopropyl-N-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is GIWITHYYVRBBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-2-10(1)11-8-14-12(16-11)13-7-9-3-5-15-6-4-9/h9-11H,1-8H2,(H,13,14).
What are the key properties of 5-cyclopropyl-N-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-(oxan-4-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-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63711934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).