5-(1-aminoethyl)-N-methyl-4-(2-methylphenyl)-1,3-thiazol-2-amine

C13H17N3S — CID 82542153

IUPAC5-(1-aminoethyl)-N-methyl-4-(2-methylphenyl)-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccccc2C)c(C(C)N)s1
InChIInChI=1S/C13H17N3S/c1-8-6-4-5-7-10(8)11-12(9(2)14)17-13(15-3)16-11/h4-7,9H,14H2,1-3H3,(H,15,16)
InChIKeyMDCGMLSXYMKDFR-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.18
Rot. Bonds3

About 5-(1-aminoethyl)-N-methyl-4-(2-methylphenyl)-1,3-thiazol-2-amine

5-(1-aminoethyl)-N-methyl-4-(2-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 82542153) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-methyl-4-(2-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-methyl-4-(2-methylphenyl)-1,3-thiazol-2-amine
PubChem CID82542153
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name5-(1-aminoethyl)-N-methyl-4-(2-methylphenyl)-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccccc2C)c(C(C)N)s1
InChIInChI=1S/C13H17N3S/c1-8-6-4-5-7-10(8)11-12(9(2)14)17-13(15-3)16-11/h4-7,9H,14H2,1-3H3,(H,15,16)
InChIKeyMDCGMLSXYMKDFR-UHFFFAOYSA-N
XLogP3.18
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(1-aminoethyl)-N-methyl-4-(2-methylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-methyl-4-(2-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-methyl-4-(2-methylphenyl)-1,3-thiazol-2-amine (CID 82542153) is 5-(1-aminoethyl)-N-methyl-4-(2-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-methyl-4-(2-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-methyl-4-(2-methylphenyl)-1,3-thiazol-2-amine is CNc1nc(-c2ccccc2C)c(C(C)N)s1.
What is the InChIKey of 5-(1-aminoethyl)-N-methyl-4-(2-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is MDCGMLSXYMKDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-8-6-4-5-7-10(8)11-12(9(2)14)17-13(15-3)16-11/h4-7,9H,14H2,1-3H3,(H,15,16).
What are the key properties of 5-(1-aminoethyl)-N-methyl-4-(2-methylphenyl)-1,3-thiazol-2-amine?
5-(1-aminoethyl)-N-methyl-4-(2-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 247.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-methyl-4-(2-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82542153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).