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

C8H16N2OS — CID 104763255

IUPACN-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)OCCNC1=NCCS1
InChIInChI=1S/C8H16N2OS/c1-7(2)11-5-3-9-8-10-4-6-12-8/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyWQLLFNZRTKPSPQ-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.10
Rot. Bonds4

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

N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 104763255) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID104763255
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC NameN-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)OCCNC1=NCCS1
InChIInChI=1S/C8H16N2OS/c1-7(2)11-5-3-9-8-10-4-6-12-8/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyWQLLFNZRTKPSPQ-UHFFFAOYSA-N
XLogP1.10
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 104763255) is N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)OCCNC1=NCCS1.
What is the InChIKey of N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is WQLLFNZRTKPSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-7(2)11-5-3-9-8-10-4-6-12-8/h7H,3-6H2,1-2H3,(H,9,10).
What are the key properties of N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 188.30 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 104763255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).