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

C9H18N2OS — CID 104763250

IUPAC5-methyl-N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)OCCNC1=NCC(C)S1
InChIInChI=1S/C9H18N2OS/c1-7(2)12-5-4-10-9-11-6-8(3)13-9/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyAQXRIYKEOPAAAA-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.49
Rot. Bonds4

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

5-methyl-N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 104763250) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 5-methyl-N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID104763250
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name5-methyl-N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)OCCNC1=NCC(C)S1
InChIInChI=1S/C9H18N2OS/c1-7(2)12-5-4-10-9-11-6-8(3)13-9/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyAQXRIYKEOPAAAA-UHFFFAOYSA-N
XLogP1.49
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.49
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 5-methyl-N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 104763250) is 5-methyl-N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)OCCNC1=NCC(C)S1.
What is the InChIKey of 5-methyl-N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is AQXRIYKEOPAAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-7(2)12-5-4-10-9-11-6-8(3)13-9/h7-8H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 5-methyl-N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-methyl-N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 202.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 104763250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).