N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine

C17H15ClN2S — CID 53271626

IUPACN-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine
SMILESClc1ccc(-c2cnc(CNCc3ccccc3)s2)cc1
InChIInChI=1S/C17H15ClN2S/c18-15-8-6-14(7-9-15)16-11-20-17(21-16)12-19-10-13-4-2-1-3-5-13/h1-9,11,19H,10,12H2
InChIKeyRTFNGNFXTCUMJU-UHFFFAOYSA-N
MW314.84 g/mol
LogP4.75
Rot. Bonds5

About N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine

N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine (PubChem CID 53271626) has the molecular formula C17H15ClN2S and a molecular weight of 314.84 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine
PubChem CID53271626
Molecular FormulaC17H15ClN2S
Molecular Weight314.84 g/mol
Exact Mass314.06
IUPAC NameN-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine
SMILESClc1ccc(-c2cnc(CNCc3ccccc3)s2)cc1
InChIInChI=1S/C17H15ClN2S/c18-15-8-6-14(7-9-15)16-11-20-17(21-16)12-19-10-13-4-2-1-3-5-13/h1-9,11,19H,10,12H2
InChIKeyRTFNGNFXTCUMJU-UHFFFAOYSA-N
XLogP4.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 53271475
N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 53271478
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine
CID 53272362
N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 53272600
2-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272306
1-(2-fluorophenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine
CID 53271560
2-(4-chlorophenyl)-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272786
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-fluorophenyl)methanamine
CID 53271511
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)methanamine
CID 53271591
4-[2-[[2-(4-chlorophenyl)ethylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline
CID 53272498
5-(4-chlorophenyl)-2-phenyl-1,3-thiazole
CID 101443473
1-(4-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103701879

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine (CID 53271626) is N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine is Clc1ccc(-c2cnc(CNCc3ccccc3)s2)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine?
The InChIKey is RTFNGNFXTCUMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2S/c18-15-8-6-14(7-9-15)16-11-20-17(21-16)12-19-10-13-4-2-1-3-5-13/h1-9,11,19H,10,12H2.
What are the key properties of N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine?
N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine has a molecular weight of 314.84 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 53271626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).