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

C11H18N2OS — CID 63296651

IUPAC5-cyclopropyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1COC(CNC2=NCC(C3CC3)S2)C1
InChIInChI=1S/C11H18N2OS/c1-2-9(14-5-1)6-12-11-13-7-10(15-11)8-3-4-8/h8-10H,1-7H2,(H,12,13)
InChIKeyQLYRAVHJNQGQGN-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.64
Rot. Bonds3

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

5-cyclopropyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63296651) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 5-cyclopropyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63296651
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name5-cyclopropyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1COC(CNC2=NCC(C3CC3)S2)C1
InChIInChI=1S/C11H18N2OS/c1-2-9(14-5-1)6-12-11-13-7-10(15-11)8-3-4-8/h8-10H,1-7H2,(H,12,13)
InChIKeyQLYRAVHJNQGQGN-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methyl-1-oxobutan-2-yl) N'-methyl-N-(oxolan-2-ylmethyl)carbamimidothioate
CID 143468651
N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338705
N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43148985
5-methyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43440025
4-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 43534258
4-ethyl-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 43534262
4-(2-methylpropyl)-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 61250765
5-cyclopropyl-N-(2-ethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296247
5-cyclopropyl-N-(oxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296435
5-cyclopropyl-N-[2-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63296441
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-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 63296651) is 5-cyclopropyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is C1COC(CNC2=NCC(C3CC3)S2)C1.
What is the InChIKey of 5-cyclopropyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is QLYRAVHJNQGQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-2-9(14-5-1)6-12-11-13-7-10(15-11)8-3-4-8/h8-10H,1-7H2,(H,12,13).
What are the key properties of 5-cyclopropyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 226.34 g/mol, XLogP of 1.64, 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-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63296651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).