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

C18H17ClN2S — CID 10476634

IUPAC2-[2-[(3-chlorophenyl)-phenylmethyl]-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(C(c2ccccc2)c2cccc(Cl)c2)n1
InChIInChI=1S/C18H17ClN2S/c19-15-8-4-7-14(11-15)17(13-5-2-1-3-6-13)18-21-16(9-10-20)12-22-18/h1-8,11-12,17H,9-10,20H2
InChIKeyAROSLNPYCLWUAD-UHFFFAOYSA-N
MW328.87 g/mol
LogP4.48
Rot. Bonds5

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

2-[2-[(3-chlorophenyl)-phenylmethyl]-1,3-thiazol-4-yl]ethanamine (PubChem CID 10476634) has the molecular formula C18H17ClN2S and a molecular weight of 328.87 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)-phenylmethyl]-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)-phenylmethyl]-1,3-thiazol-4-yl]ethanamine
PubChem CID10476634
Molecular FormulaC18H17ClN2S
Molecular Weight328.87 g/mol
Exact Mass328.08
IUPAC Name2-[2-[(3-chlorophenyl)-phenylmethyl]-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(C(c2ccccc2)c2cccc(Cl)c2)n1
InChIInChI=1S/C18H17ClN2S/c19-15-8-4-7-14(11-15)17(13-5-2-1-3-6-13)18-21-16(9-10-20)12-22-18/h1-8,11-12,17H,9-10,20H2
InChIKeyAROSLNPYCLWUAD-UHFFFAOYSA-N
XLogP4.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[phenyl(pyrrolidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 82026664
2-[2-[(2-chlorophenyl)-(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanamine
CID 82026661
1-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[1-(3-chlorophenyl)ethyl]-N-methylpropan-1-amine
CID 62978324
2-(2-chloro-1,3-thiazol-4-yl)ethanamine
CID 70439393
2-(3-chlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 79440259
4-(3-chlorophenyl)heptane-1,7-diamine
CID 170878710
2-[2-[dimethylamino-(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 82026658
2-(2-aminoethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81371818
(1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171199565
2-(2-aminoethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621554
2-amino-1-(3-chlorophenyl)ethanol;carbonic acid
CID 67865938
1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine
CID 112501302

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)-phenylmethyl]-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-[(3-chlorophenyl)-phenylmethyl]-1,3-thiazol-4-yl]ethanamine (CID 10476634) is 2-[2-[(3-chlorophenyl)-phenylmethyl]-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)-phenylmethyl]-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-[(3-chlorophenyl)-phenylmethyl]-1,3-thiazol-4-yl]ethanamine is NCCc1csc(C(c2ccccc2)c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[2-[(3-chlorophenyl)-phenylmethyl]-1,3-thiazol-4-yl]ethanamine?
The InChIKey is AROSLNPYCLWUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2S/c19-15-8-4-7-14(11-15)17(13-5-2-1-3-6-13)18-21-16(9-10-20)12-22-18/h1-8,11-12,17H,9-10,20H2.
What are the key properties of 2-[2-[(3-chlorophenyl)-phenylmethyl]-1,3-thiazol-4-yl]ethanamine?
2-[2-[(3-chlorophenyl)-phenylmethyl]-1,3-thiazol-4-yl]ethanamine has a molecular weight of 328.87 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenyl)-phenylmethyl]-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 10476634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).