N-(2,2-dimethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine

C7H14N2O2S — CID 102249973

IUPACN-(2,2-dimethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOC(CNC1=NCCS1)OC
InChIInChI=1S/C7H14N2O2S/c1-10-6(11-2)5-9-7-8-3-4-12-7/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyPUYWQYHOBXMQPK-UHFFFAOYSA-N
MW190.27 g/mol
LogP0.30
Rot. Bonds4

About N-(2,2-dimethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(2,2-dimethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 102249973) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID102249973
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC NameN-(2,2-dimethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOC(CNC1=NCCS1)OC
InChIInChI=1S/C7H14N2O2S/c1-10-6(11-2)5-9-7-8-3-4-12-7/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyPUYWQYHOBXMQPK-UHFFFAOYSA-N
XLogP0.30
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 102249973) is N-(2,2-dimethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine is COC(CNC1=NCCS1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is PUYWQYHOBXMQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-10-6(11-2)5-9-7-8-3-4-12-7/h6H,3-5H2,1-2H3,(H,8,9).
What are the key properties of N-(2,2-dimethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,2-dimethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 190.27 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 102249973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).