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

C13H18N2OS — CID 113492430

IUPACN-(3-ethoxyphenyl)-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCOc1cccc(NC2=NCC(CC)S2)c1
InChIInChI=1S/C13H18N2OS/c1-3-12-9-14-13(17-12)15-10-6-5-7-11(8-10)16-4-2/h5-8,12H,3-4,9H2,1-2H3,(H,14,15)
InChIKeyXPVIXEXVSMRGDD-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.38
Rot. Bonds4

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

N-(3-ethoxyphenyl)-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 113492430) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID113492430
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-(3-ethoxyphenyl)-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCOc1cccc(NC2=NCC(CC)S2)c1
InChIInChI=1S/C13H18N2OS/c1-3-12-9-14-13(17-12)15-10-6-5-7-11(8-10)16-4-2/h5-8,12H,3-4,9H2,1-2H3,(H,14,15)
InChIKeyXPVIXEXVSMRGDD-UHFFFAOYSA-N
XLogP3.38
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-ethoxyphenyl)-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-ethoxyphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107857841
N-(3-ethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187669
N-(3-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106250484
5-ethyl-N-(4-methoxy-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 113492467
N-(2-ethoxyphenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153725
5-(bromomethyl)-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 3119343
N-(3-ethoxyphenyl)hydroxylamine
CID 13347158
6-bromo-N-(3-ethoxyphenyl)pyridin-2-amine
CID 63961957
N-tert-butyl-3-ethoxyaniline
CID 58745523
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethoxyaniline
CID 79222550
5-cyclopropyl-N-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63296751
N-(3-ethylphenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43385646

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3-ethoxyphenyl)-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine (CID 113492430) is N-(3-ethoxyphenyl)-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-ethoxyphenyl)-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-ethoxyphenyl)-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine is CCOc1cccc(NC2=NCC(CC)S2)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is XPVIXEXVSMRGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-3-12-9-14-13(17-12)15-10-6-5-7-11(8-10)16-4-2/h5-8,12H,3-4,9H2,1-2H3,(H,14,15).
What are the key properties of N-(3-ethoxyphenyl)-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(3-ethoxyphenyl)-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 250.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 113492430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).