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

C13H18N2OS — CID 113492467

IUPAC5-ethyl-N-(4-methoxy-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CN=C(Nc2ccc(OC)cc2C)S1
InChIInChI=1S/C13H18N2OS/c1-4-11-8-14-13(17-11)15-12-6-5-10(16-3)7-9(12)2/h5-7,11H,4,8H2,1-3H3,(H,14,15)
InChIKeyVQBBSMARLUVTCJ-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.30
Rot. Bonds3

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

5-ethyl-N-(4-methoxy-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 113492467) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 5-ethyl-N-(4-methoxy-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-(4-methoxy-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID113492467
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name5-ethyl-N-(4-methoxy-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CN=C(Nc2ccc(OC)cc2C)S1
InChIInChI=1S/C13H18N2OS/c1-4-11-8-14-13(17-11)15-12-6-5-10(16-3)7-9(12)2/h5-7,11H,4,8H2,1-3H3,(H,14,15)
InChIKeyVQBBSMARLUVTCJ-UHFFFAOYSA-N
XLogP3.30
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-N-(4-methoxy-2-methylphenyl)-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)-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 113492430
6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80804662
6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80825171
6-N,5-diethyl-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,6-diamine
CID 80805047
5-ethyl-4-N-(4-methoxy-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80824993
4-(chloromethyl)-N-(4-methoxy-2-methylphenyl)thiophen-3-amine
CID 23457248
N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline
CID 139611066
N-(2-ethylcyclohexyl)-4-methoxy-2-methylaniline
CID 63862489
6-chloro-N-(4-methoxy-2-methylphenyl)-4,5-dimethylpyridazin-3-amine
CID 63272259
4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline
CID 139788451
4-N-(4-methoxy-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80825505
N-cyclopentyl-4-methoxy-2-methylaniline
CID 62867512

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(4-methoxy-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-ethyl-N-(4-methoxy-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 113492467) is 5-ethyl-N-(4-methoxy-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-(4-methoxy-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-ethyl-N-(4-methoxy-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is CCC1CN=C(Nc2ccc(OC)cc2C)S1.
What is the InChIKey of 5-ethyl-N-(4-methoxy-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is VQBBSMARLUVTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-4-11-8-14-13(17-11)15-12-6-5-10(16-3)7-9(12)2/h5-7,11H,4,8H2,1-3H3,(H,14,15).
What are the key properties of 5-ethyl-N-(4-methoxy-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-ethyl-N-(4-methoxy-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 250.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(4-methoxy-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 113492467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).