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

C14H19N3S — CID 62753444

IUPACN-methyl-5-(methylaminomethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCNCc1cnc(N(C)Cc2ccccc2C)s1
InChIInChI=1S/C14H19N3S/c1-11-6-4-5-7-12(11)10-17(3)14-16-9-13(18-14)8-15-2/h4-7,9,15H,8,10H2,1-3H3
InChIKeyLIQIUKMIFLDMNR-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.81
Rot. Bonds5

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

N-methyl-5-(methylaminomethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 62753444) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-methyl-5-(methylaminomethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(methylaminomethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID62753444
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-methyl-5-(methylaminomethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCNCc1cnc(N(C)Cc2ccccc2C)s1
InChIInChI=1S/C14H19N3S/c1-11-6-4-5-7-12(11)10-17(3)14-16-9-13(18-14)8-15-2/h4-7,9,15H,8,10H2,1-3H3
InChIKeyLIQIUKMIFLDMNR-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62750736
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 65486759
N-(3,5-dimethylphenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62754121
5-(ethylaminomethyl)-N-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 62752893
N-benzyl-5-(chloromethyl)-N-methyl-1,3-thiazol-2-amine
CID 130569174
N-[(2-fluorophenyl)methyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55117804
5-[(cyclopropylamino)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 62749892
1-N,2-N,3-trimethyl-2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 144839096
4-fluoro-N-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]aniline
CID 61411466
1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62830361
N-(furan-2-ylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 55112489
1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 117041448

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(methylaminomethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-(methylaminomethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine (CID 62753444) is N-methyl-5-(methylaminomethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-(methylaminomethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-(methylaminomethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine is CNCc1cnc(N(C)Cc2ccccc2C)s1.
What is the InChIKey of N-methyl-5-(methylaminomethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is LIQIUKMIFLDMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-11-6-4-5-7-12(11)10-17(3)14-16-9-13(18-14)8-15-2/h4-7,9,15H,8,10H2,1-3H3.
What are the key properties of N-methyl-5-(methylaminomethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine?
N-methyl-5-(methylaminomethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 261.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(methylaminomethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62753444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).