2-(4-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine

C13H15ClN2S — CID 28781266

IUPAC2-(4-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCc1nc(CNCCc2ccc(Cl)cc2)cs1
InChIInChI=1S/C13H15ClN2S/c1-10-16-13(9-17-10)8-15-7-6-11-2-4-12(14)5-3-11/h2-5,9,15H,6-8H2,1H3
InChIKeyUSQQSBYLJHLJOR-UHFFFAOYSA-N
MW266.80 g/mol
LogP3.44
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine

2-(4-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 28781266) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID28781266
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name2-(4-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCc1nc(CNCCc2ccc(Cl)cc2)cs1
InChIInChI=1S/C13H15ClN2S/c1-10-16-13(9-17-10)8-15-7-6-11-2-4-12(14)5-3-11/h2-5,9,15H,6-8H2,1H3
InChIKeyUSQQSBYLJHLJOR-UHFFFAOYSA-N
XLogP3.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine (CID 28781266) is 2-(4-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine is Cc1nc(CNCCc2ccc(Cl)cc2)cs1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is USQQSBYLJHLJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-10-16-13(9-17-10)8-15-7-6-11-2-4-12(14)5-3-11/h2-5,9,15H,6-8H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
2-(4-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 266.80 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 28781266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).