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

C13H18N2OS — CID 43591372

IUPACN-(2-ethoxyethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCOCCNC1=NCC(c2ccccc2)S1
InChIInChI=1S/C13H18N2OS/c1-2-16-9-8-14-13-15-10-12(17-13)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,14,15)
InChIKeyQUSBHWOXRNJJJP-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.46
Rot. Bonds5

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

N-(2-ethoxyethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43591372) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43591372
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-(2-ethoxyethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCOCCNC1=NCC(c2ccccc2)S1
InChIInChI=1S/C13H18N2OS/c1-2-16-9-8-14-13-15-10-12(17-13)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,14,15)
InChIKeyQUSBHWOXRNJJJP-UHFFFAOYSA-N
XLogP2.46
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.46
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-ethoxyethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-ethoxyethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 43591372) is N-(2-ethoxyethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-ethoxyethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine is CCOCCNC1=NCC(c2ccccc2)S1.
What is the InChIKey of N-(2-ethoxyethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is QUSBHWOXRNJJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-2-16-9-8-14-13-15-10-12(17-13)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,14,15).
What are the key properties of N-(2-ethoxyethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-ethoxyethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 250.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43591372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).