2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide

C19H23N3OS3 — CID 95742865

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
SMILESCN(C)[C@H](CNC(=O)c1ccccc1CSC1=NCCS1)c1cccs1
InChIInChI=1S/C19H23N3OS3/c1-22(2)16(17-8-5-10-24-17)12-21-18(23)15-7-4-3-6-14(15)13-26-19-20-9-11-25-19/h3-8,10,16H,9,11-13H2,1-2H3,(H,21,23)/t16-/m1/s1
InChIKeyLFXUMOIKVMJLPK-MRXNPFEDSA-N
MW405.61 g/mol
LogP4.12
Rot. Bonds7

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide (PubChem CID 95742865) has the molecular formula C19H23N3OS3 and a molecular weight of 405.61 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
PubChem CID95742865
Molecular FormulaC19H23N3OS3
Molecular Weight405.61 g/mol
Exact Mass405.10
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
SMILESCN(C)[C@H](CNC(=O)c1ccccc1CSC1=NCCS1)c1cccs1
InChIInChI=1S/C19H23N3OS3/c1-22(2)16(17-8-5-10-24-17)12-21-18(23)15-7-4-3-6-14(15)13-26-19-20-9-11-25-19/h3-8,10,16H,9,11-13H2,1-2H3,(H,21,23)/t16-/m1/s1
InChIKeyLFXUMOIKVMJLPK-MRXNPFEDSA-N
XLogP4.12
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.61
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(diethylamino)-2-phenylethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
CID 112765000
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]benzamide
CID 112794298
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-propan-2-ylsulfanylbenzamide
CID 78772713
2-bromo-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 8504392
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide
CID 18161749
N-[2-(4-chlorophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
CID 112789136
N-[1-(4-bromophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
CID 112761890
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[3-(N-ethylanilino)propyl]benzamide
CID 112809982
2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide
CID 61251162
2-(2-cyanophenyl)sulfanyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 9118288
(4-methoxycarbonylphenyl) 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate
CID 8961251
N-(3-bromophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
CID 8713840

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide (CID 95742865) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide is CN(C)[C@H](CNC(=O)c1ccccc1CSC1=NCCS1)c1cccs1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide?
The InChIKey is LFXUMOIKVMJLPK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N3OS3/c1-22(2)16(17-8-5-10-24-17)12-21-18(23)15-7-4-3-6-14(15)13-26-19-20-9-11-25-19/h3-8,10,16H,9,11-13H2,1-2H3,(H,21,23)/t16-/m1/s1.
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide has a molecular weight of 405.61 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 95742865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).