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

C15H21N3S — CID 62752533

IUPACN-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1cnc(N(C)c2cccc(C)c2)s1
InChIInChI=1S/C15H21N3S/c1-4-8-16-10-14-11-17-15(19-14)18(3)13-7-5-6-12(2)9-13/h5-7,9,11,16H,4,8,10H2,1-3H3
InChIKeyICMGRPNLNVHIMJ-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.72
Rot. Bonds6

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

N-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 62752533) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
PubChem CID62752533
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1cnc(N(C)c2cccc(C)c2)s1
InChIInChI=1S/C15H21N3S/c1-4-8-16-10-14-11-17-15(19-14)18(3)13-7-5-6-12(2)9-13/h5-7,9,11,16H,4,8,10H2,1-3H3
InChIKeyICMGRPNLNVHIMJ-UHFFFAOYSA-N
XLogP3.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62752896
N-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 62293001
N-(3,5-dimethylphenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62754121
N-[(3-fluorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62751596
N-methyl-N-(3-methylphenyl)-6-(propylaminomethyl)pyridazin-3-amine
CID 62293538
5-[(tert-butylamino)methyl]-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62753605
N-methyl-N-pentan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62749940
N-cyclopropyl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62749927
2-(N,3-dimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 55112410
N-[[2-(3-methylphenyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82422567
5-chloro-N-methyl-N-(3-methylphenyl)-2-(propylaminomethyl)aniline
CID 114850483
5-(ethylaminomethyl)-N-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 62752893

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine (CID 62752533) is N-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine is CCCNCc1cnc(N(C)c2cccc(C)c2)s1.
What is the InChIKey of N-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is ICMGRPNLNVHIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-4-8-16-10-14-11-17-15(19-14)18(3)13-7-5-6-12(2)9-13/h5-7,9,11,16H,4,8,10H2,1-3H3.
What are the key properties of N-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
N-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62752533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).