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

C9H16N2O2S — CID 61023164

IUPACN-(1,4-dioxan-2-ylmethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCC2COCCO2)S1
InChIInChI=1S/C9H16N2O2S/c1-7-4-10-9(14-7)11-5-8-6-12-2-3-13-8/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyCQJJHFKZUOLYNC-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.48
Rot. Bonds2

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

N-(1,4-dioxan-2-ylmethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 61023164) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID61023164
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCC2COCCO2)S1
InChIInChI=1S/C9H16N2O2S/c1-7-4-10-9(14-7)11-5-8-6-12-2-3-13-8/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyCQJJHFKZUOLYNC-UHFFFAOYSA-N
XLogP0.48
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Butan-2-ylsulfanyl-5-methoxy-1,4,5,6-tetrahydropyrimidine
CID 163765314
N-(2-ethoxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43591371
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
N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 61850488
N-[2-(2-methoxyethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 61850489
N-[2-(2-methoxyethoxy)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 61850693
5-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296479
N-[2-(2-methoxyethoxy)ethyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65036126
N-(1,4-dioxan-2-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65036303
N-butan-2-yl-4,5-dimethoxy-4,5-dihydro-1,3-thiazol-2-amine
CID 71328574
(4S,5R)-N-butan-2-yl-4,5-dimethoxy-4,5-dihydro-1,3-thiazol-2-amine
CID 71422804

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 61023164) is N-(1,4-dioxan-2-ylmethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(NCC2COCCO2)S1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CQJJHFKZUOLYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-7-4-10-9(14-7)11-5-8-6-12-2-3-13-8/h7-8H,2-6H2,1H3,(H,10,11).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(1,4-dioxan-2-ylmethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 216.31 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 61023164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).