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

C11H18N2O2S — CID 63296479

IUPAC5-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1COC(CNC2=NCC(C3CC3)S2)CO1
InChIInChI=1S/C11H18N2O2S/c1-2-8(1)10-6-13-11(16-10)12-5-9-7-14-3-4-15-9/h8-10H,1-7H2,(H,12,13)
InChIKeyLUXGCGMQOXFOBI-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.87
Rot. Bonds3

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

5-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63296479) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 5-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63296479
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name5-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1COC(CNC2=NCC(C3CC3)S2)CO1
InChIInChI=1S/C11H18N2O2S/c1-2-8(1)10-6-13-11(16-10)12-5-9-7-14-3-4-15-9/h8-10H,1-7H2,(H,12,13)
InChIKeyLUXGCGMQOXFOBI-UHFFFAOYSA-N
XLogP0.87
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 61023164
N-(1,4-dioxan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 61024990
N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61024991
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-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296516
5-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63296526
N-(1,4-dioxan-2-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65036303
5-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 79072068
5-cyclopropyl-N-(2-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 102699412
5-cyclopropyl-N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 104763264
5-cyclopropyl-N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 104763304

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 63296479) is 5-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is C1COC(CNC2=NCC(C3CC3)S2)CO1.
What is the InChIKey of 5-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is LUXGCGMQOXFOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-2-8(1)10-6-13-11(16-10)12-5-9-7-14-3-4-15-9/h8-10H,1-7H2,(H,12,13).
What are the key properties of 5-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 242.34 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63296479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).