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

C13H15ClN2S — CID 104853912

IUPAC1-(4-chloro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCc1csc(CNCc2ccc(Cl)cc2C)n1
InChIInChI=1S/C13H15ClN2S/c1-9-5-12(14)4-3-11(9)6-15-7-13-16-10(2)8-17-13/h3-5,8,15H,6-7H2,1-2H3
InChIKeyAHSNJMAWEBLZKP-UHFFFAOYSA-N
MW266.80 g/mol
LogP3.70
Rot. Bonds4

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

1-(4-chloro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 104853912) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID104853912
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name1-(4-chloro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCc1csc(CNCc2ccc(Cl)cc2C)n1
InChIInChI=1S/C13H15ClN2S/c1-9-5-12(14)4-3-11(9)6-15-7-13-16-10(2)8-17-13/h3-5,8,15H,6-7H2,1-2H3
InChIKeyAHSNJMAWEBLZKP-UHFFFAOYSA-N
XLogP3.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 60759989
1-(5-chloro-2-nitrophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 78998635
N'-hydroxy-3-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]benzenecarboximidamide
CID 114482834
1-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 47030464
2-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 78992597
1-(2-chloro-3,4-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 63626229
1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104853852
1-(4-chloro-2-methylphenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 104854283
1-(2,4-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol
CID 111424572
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
CID 62473870
1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 60760627
5-chloro-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82122899

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (CID 104853912) is 1-(4-chloro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is Cc1csc(CNCc2ccc(Cl)cc2C)n1.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is AHSNJMAWEBLZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-9-5-12(14)4-3-11(9)6-15-7-13-16-10(2)8-17-13/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
1-(4-chloro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 266.80 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 104853912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).