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

C13H17N3S — CID 79772147

IUPAC5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
SMILESCc1cccc(CN(C)Cc2cnc(N)s2)c1
InChIInChI=1S/C13H17N3S/c1-10-4-3-5-11(6-10)8-16(2)9-12-7-15-13(14)17-12/h3-7H,8-9H2,1-2H3,(H2,14,15)
InChIKeyZODWYBAZDNIVNH-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.67
Rot. Bonds4

About 5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine

5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine (PubChem CID 79772147) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
PubChem CID79772147
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
SMILESCc1cccc(CN(C)Cc2cnc(N)s2)c1
InChIInChI=1S/C13H17N3S/c1-10-4-3-5-11(6-10)8-16(2)9-12-7-15-13(14)17-12/h3-7H,8-9H2,1-2H3,(H2,14,15)
InChIKeyZODWYBAZDNIVNH-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

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Related Compounds

5-[(N,3-dimethylanilino)methyl]-1,3-thiazol-2-amine
CID 79771560
5-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898326
5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897486
5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 79772146
5-[[(3,5-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903914
6-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-benzothiazol-2-amine
CID 65348846
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897558
4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 61414352
5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902294
5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine
CID 79771663
5-[[methyl-[(4-methylsulfonylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900901

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine (CID 79772147) is 5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine is Cc1cccc(CN(C)Cc2cnc(N)s2)c1.
What is the InChIKey of 5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is ZODWYBAZDNIVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-10-4-3-5-11(6-10)8-16(2)9-12-7-15-13(14)17-12/h3-7H,8-9H2,1-2H3,(H2,14,15).
What are the key properties of 5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine?
5-[[methyl-[(3-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 5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79772147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).