N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine

C12H14N2S — CID 4660258

IUPACN-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine
SMILESCNCc1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C12H14N2S/c1-9-3-5-10(6-4-9)11-8-15-12(14-11)7-13-2/h3-6,8,13H,7H2,1-2H3
InChIKeySHDXPOCVHNGSIJ-UHFFFAOYSA-N
MW218.32 g/mol
LogP2.84
Rot. Bonds3

About N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine

N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 4660258) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine
PubChem CID4660258
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC NameN-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine
SMILESCNCc1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C12H14N2S/c1-9-3-5-10(6-4-9)11-8-15-12(14-11)7-13-2/h3-6,8,13H,7H2,1-2H3
InChIKeySHDXPOCVHNGSIJ-UHFFFAOYSA-N
XLogP2.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62542694
N-methyl-1-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]methanamine
CID 4550670
N-methyl-1-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine
CID 3528202
4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-N-phenylaniline;hydrochloride
CID 67215069
N-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116968163
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62543515
1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 3299476
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
N-methyl-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 120558345
N'-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]heptanediamide
CID 171617303
1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 60760627

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine (CID 4660258) is N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine is CNCc1nc(-c2ccc(C)cc2)cs1.
What is the InChIKey of N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is SHDXPOCVHNGSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-9-3-5-10(6-4-9)11-8-15-12(14-11)7-13-2/h3-6,8,13H,7H2,1-2H3.
What are the key properties of N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine?
N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 218.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 4660258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).