5-chloro-2-methyl-N-(1,3-thiazol-5-ylmethyl)aniline

C11H11ClN2S — CID 62758474

IUPAC5-chloro-2-methyl-N-(1,3-thiazol-5-ylmethyl)aniline
SMILESCc1ccc(Cl)cc1NCc1cncs1
InChIInChI=1S/C11H11ClN2S/c1-8-2-3-9(12)4-11(8)14-6-10-5-13-7-15-10/h2-5,7,14H,6H2,1H3
InChIKeyFPMGTZKPIGZKAX-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.72
Rot. Bonds3

About 5-chloro-2-methyl-N-(1,3-thiazol-5-ylmethyl)aniline

5-chloro-2-methyl-N-(1,3-thiazol-5-ylmethyl)aniline (PubChem CID 62758474) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-(1,3-thiazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name5-chloro-2-methyl-N-(1,3-thiazol-5-ylmethyl)aniline
PubChem CID62758474
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name5-chloro-2-methyl-N-(1,3-thiazol-5-ylmethyl)aniline
SMILESCc1ccc(Cl)cc1NCc1cncs1
InChIInChI=1S/C11H11ClN2S/c1-8-2-3-9(12)4-11(8)14-6-10-5-13-7-15-10/h2-5,7,14H,6H2,1H3
InChIKeyFPMGTZKPIGZKAX-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941064
4-chloro-N,N-dimethyl-2-(1,3-thiazol-5-ylmethylamino)benzamide
CID 62758513
5-chloro-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663113
4-N,4-N,2-trimethyl-1-N-(1,3-thiazol-5-ylmethyl)benzene-1,4-diamine
CID 62759246
5-chloro-2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66130068
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline
CID 29273451
5-chloro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663783
4-bromo-2,3-dichloro-N-(1,3-thiazol-5-ylmethyl)aniline
CID 107787698
1-(5-chloro-2-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589055
5-chloro-N-(isoquinolin-6-ylmethyl)-2-methylaniline
CID 107037411
4,6-dimethyl-N-(1,3-thiazol-5-ylmethyl)pyrimidin-2-amine
CID 104577485
4-[(5-chloro-2-methylanilino)methyl]-2,6-dimethylphenol
CID 28932187

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-(1,3-thiazol-5-ylmethyl)aniline?
The IUPAC name of 5-chloro-2-methyl-N-(1,3-thiazol-5-ylmethyl)aniline (CID 62758474) is 5-chloro-2-methyl-N-(1,3-thiazol-5-ylmethyl)aniline.
What is the SMILES notation for 5-chloro-2-methyl-N-(1,3-thiazol-5-ylmethyl)aniline?
The canonical SMILES for 5-chloro-2-methyl-N-(1,3-thiazol-5-ylmethyl)aniline is Cc1ccc(Cl)cc1NCc1cncs1.
What is the InChIKey of 5-chloro-2-methyl-N-(1,3-thiazol-5-ylmethyl)aniline?
The InChIKey is FPMGTZKPIGZKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-8-2-3-9(12)4-11(8)14-6-10-5-13-7-15-10/h2-5,7,14H,6H2,1H3.
What are the key properties of 5-chloro-2-methyl-N-(1,3-thiazol-5-ylmethyl)aniline?
5-chloro-2-methyl-N-(1,3-thiazol-5-ylmethyl)aniline has a molecular weight of 238.74 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-(1,3-thiazol-5-ylmethyl)aniline is sourced from PubChem (CID 62758474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).