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

C13H17N3S — CID 61414352

IUPAC4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
SMILESCc1cccc(CN(C)Cc2csc(N)n2)c1
InChIInChI=1S/C13H17N3S/c1-10-4-3-5-11(6-10)7-16(2)8-12-9-17-13(14)15-12/h3-6,9H,7-8H2,1-2H3,(H2,14,15)
InChIKeyKDTDJXBAVBVNAU-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.67
Rot. Bonds4

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

4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine (PubChem CID 61414352) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
PubChem CID61414352
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
SMILESCc1cccc(CN(C)Cc2csc(N)n2)c1
InChIInChI=1S/C13H17N3S/c1-10-4-3-5-11(6-10)7-16(2)8-12-9-17-13(14)15-12/h3-6,9H,7-8H2,1-2H3,(H2,14,15)
InChIKeyKDTDJXBAVBVNAU-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

4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 61411885
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-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 79772147
4-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazol-2-amine
CID 88924668
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 110717883
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(3-pyridin-4-ylphenyl)methanamine
CID 75470714
2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383822
4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine
CID 65482707
2-bromo-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]aniline
CID 113335112
N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 570901
[3-fluoro-4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 61414070

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine (CID 61414352) is 4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine is Cc1cccc(CN(C)Cc2csc(N)n2)c1.
What is the InChIKey of 4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is KDTDJXBAVBVNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-10-4-3-5-11(6-10)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-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine?
4-[[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 4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 61414352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).