4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine

C13H17N3S — CID 61411885

IUPAC4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
SMILESCc1ccccc1CN(C)Cc1csc(N)n1
InChIInChI=1S/C13H17N3S/c1-10-5-3-4-6-11(10)7-16(2)8-12-9-17-13(14)15-12/h3-6,9H,7-8H2,1-2H3,(H2,14,15)
InChIKeyYHVOWOZRJYYFAL-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.67
Rot. Bonds4

About 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine

4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine (PubChem CID 61411885) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
PubChem CID61411885
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
SMILESCc1ccccc1CN(C)Cc1csc(N)n1
InChIInChI=1S/C13H17N3S/c1-10-5-3-4-6-11(10)7-16(2)8-12-9-17-13(14)15-12/h3-6,9H,7-8H2,1-2H3,(H2,14,15)
InChIKeyYHVOWOZRJYYFAL-UHFFFAOYSA-N
XLogP2.67
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-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

1-(2-amino-1,3-thiazol-4-yl)-3-(2-methylphenyl)propan-2-one
CID 116575731
4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 61414352
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110718046
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 79749621
4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 21090604
2-(2-amino-1,3-thiazol-4-yl)-N-(2-fluorophenyl)-N-methylacetamide
CID 55119506
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]methanamine
CID 22196319
2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 62797273
5-chloro-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]aniline
CID 62101572
N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 34115692
4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine
CID 65482707
4-butyl-1,3-thiazol-2-amine;toluene
CID 174630641

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine (CID 61411885) is 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine is Cc1ccccc1CN(C)Cc1csc(N)n1.
What is the InChIKey of 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is YHVOWOZRJYYFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-10-5-3-4-6-11(10)7-16(2)8-12-9-17-13(14)15-12/h3-6,9H,7-8H2,1-2H3,(H2,14,15).
What are the key properties of 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine?
4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 247.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 61411885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).