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

C13H18N2OS — CID 114210948

IUPAC4-(2-methoxyethyl)-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCCC1CSC(Nc2cccc(C)c2)=N1
InChIInChI=1S/C13H18N2OS/c1-10-4-3-5-11(8-10)14-13-15-12(9-17-13)6-7-16-2/h3-5,8,12H,6-7,9H2,1-2H3,(H,14,15)
InChIKeyGRZASXAMVPXREI-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.91
Rot. Bonds4

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

4-(2-methoxyethyl)-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 114210948) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methoxyethyl)-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID114210948
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name4-(2-methoxyethyl)-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCCC1CSC(Nc2cccc(C)c2)=N1
InChIInChI=1S/C13H18N2OS/c1-10-4-3-5-11(8-10)14-13-15-12(9-17-13)6-7-16-2/h3-5,8,12H,6-7,9H2,1-2H3,(H,14,15)
InChIKeyGRZASXAMVPXREI-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methoxyethyl)-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 114210948) is 4-(2-methoxyethyl)-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methoxyethyl)-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methoxyethyl)-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is COCCC1CSC(Nc2cccc(C)c2)=N1.
What is the InChIKey of 4-(2-methoxyethyl)-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is GRZASXAMVPXREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-10-4-3-5-11(8-10)14-13-15-12(9-17-13)6-7-16-2/h3-5,8,12H,6-7,9H2,1-2H3,(H,14,15).
What are the key properties of 4-(2-methoxyethyl)-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
4-(2-methoxyethyl)-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 250.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 114210948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).