N-[2-(4-chlorophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide

C19H19ClN2OS2 — CID 112789136

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccccc1CSC1=NCCS1
InChIInChI=1S/C19H19ClN2OS2/c20-16-7-5-14(6-8-16)9-10-21-18(23)17-4-2-1-3-15(17)13-25-19-22-11-12-24-19/h1-8H,9-13H2,(H,21,23)
InChIKeyLEZRMRXEAWVCFZ-UHFFFAOYSA-N
MW390.96 g/mol
LogP4.65
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide

N-[2-(4-chlorophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide (PubChem CID 112789136) has the molecular formula C19H19ClN2OS2 and a molecular weight of 390.96 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
PubChem CID112789136
Molecular FormulaC19H19ClN2OS2
Molecular Weight390.96 g/mol
Exact Mass390.06
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccccc1CSC1=NCCS1
InChIInChI=1S/C19H19ClN2OS2/c20-16-7-5-14(6-8-16)9-10-21-18(23)17-4-2-1-3-15(17)13-25-19-22-11-12-24-19/h1-8H,9-13H2,(H,21,23)
InChIKeyLEZRMRXEAWVCFZ-UHFFFAOYSA-N
XLogP4.65
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.96
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[3-(N-ethylanilino)propyl]benzamide
CID 112809982
N-[2-(diethylamino)-2-phenylethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
CID 112765000
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
N-(3-bromophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
CID 8713840
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl]methanone
CID 112768153
(4-methoxycarbonylphenyl) 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate
CID 8961251
[2-(carbamoylamino)-2-oxoethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate
CID 7805207
2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26711708
2-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)benzamide
CID 174954311
2-[(4-chlorophenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 46987858
N-[3-(4-chlorophenyl)propyl]-2-[(prop-2-enoylamino)methyl]benzamide
CID 166422248
N-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide
CID 673823

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide (CID 112789136) is N-[2-(4-chlorophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide is O=C(NCCc1ccc(Cl)cc1)c1ccccc1CSC1=NCCS1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide?
The InChIKey is LEZRMRXEAWVCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2OS2/c20-16-7-5-14(6-8-16)9-10-21-18(23)17-4-2-1-3-15(17)13-25-19-22-11-12-24-19/h1-8H,9-13H2,(H,21,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide?
N-[2-(4-chlorophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide has a molecular weight of 390.96 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 112789136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).