N-(3,5-dimethylphenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine

C14H19N3S — CID 62754121

IUPACN-(3,5-dimethylphenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
SMILESCNCc1cnc(N(C)c2cc(C)cc(C)c2)s1
InChIInChI=1S/C14H19N3S/c1-10-5-11(2)7-12(6-10)17(4)14-16-9-13(18-14)8-15-3/h5-7,9,15H,8H2,1-4H3
InChIKeySKZLZUPECWEQEU-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.25
Rot. Bonds4

About N-(3,5-dimethylphenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine

N-(3,5-dimethylphenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 62754121) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
PubChem CID62754121
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-(3,5-dimethylphenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
SMILESCNCc1cnc(N(C)c2cc(C)cc(C)c2)s1
InChIInChI=1S/C14H19N3S/c1-10-5-11(2)7-12(6-10)17(4)14-16-9-13(18-14)8-15-3/h5-7,9,15H,8H2,1-4H3
InChIKeySKZLZUPECWEQEU-UHFFFAOYSA-N
XLogP3.25
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(N,3,5-trimethylanilino)-1,3-thiazol-5-yl]methanol
CID 55111939
N-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62752533
N-methyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine
CID 62751271
N-(1-methoxypropan-2-yl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62752523
N-methyl-5-(methylaminomethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 62753444
N-benzyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62750736
5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine
CID 107871472
5-[(tert-butylamino)methyl]-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62753605
N-(2-ethoxyethyl)-N-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 63690743
N-(2-methoxyethyl)-5-(methylaminomethyl)-N-pentan-3-yl-1,3-thiazol-2-amine
CID 55112407
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62752566
N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 112639666

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine (CID 62754121) is N-(3,5-dimethylphenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine is CNCc1cnc(N(C)c2cc(C)cc(C)c2)s1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is SKZLZUPECWEQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10-5-11(2)7-12(6-10)17(4)14-16-9-13(18-14)8-15-3/h5-7,9,15H,8H2,1-4H3.
What are the key properties of N-(3,5-dimethylphenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
N-(3,5-dimethylphenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62754121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).