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

C23H29N3OS2 — CID 112765000

IUPACN-[2-(diethylamino)-2-phenylethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
SMILESCCN(CC)C(CNC(=O)c1ccccc1CSC1=NCCS1)c1ccccc1
InChIInChI=1S/C23H29N3OS2/c1-3-26(4-2)21(18-10-6-5-7-11-18)16-25-22(27)20-13-9-8-12-19(20)17-29-23-24-14-15-28-23/h5-13,21H,3-4,14-17H2,1-2H3,(H,25,27)
InChIKeyNYEJTWCYWOVKBU-UHFFFAOYSA-N
MW427.64 g/mol
LogP4.84
Rot. Bonds9

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

N-[2-(diethylamino)-2-phenylethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide (PubChem CID 112765000) has the molecular formula C23H29N3OS2 and a molecular weight of 427.64 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
PubChem CID112765000
Molecular FormulaC23H29N3OS2
Molecular Weight427.64 g/mol
Exact Mass427.18
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
SMILESCCN(CC)C(CNC(=O)c1ccccc1CSC1=NCCS1)c1ccccc1
InChIInChI=1S/C23H29N3OS2/c1-3-26(4-2)21(18-10-6-5-7-11-18)16-25-22(27)20-13-9-8-12-19(20)17-29-23-24-14-15-28-23/h5-13,21H,3-4,14-17H2,1-2H3,(H,25,27)
InChIKeyNYEJTWCYWOVKBU-UHFFFAOYSA-N
XLogP4.84
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.64
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 95742865
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[3-(N-ethylanilino)propyl]benzamide
CID 112809982
N-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide
CID 18167069
N-[1-(4-bromophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
CID 112761890
N-[2-(diethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46548406
N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 25482491
N-[1-(2,4-dichlorophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
CID 112793420
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate
CID 7805239
N-[2-(diethylamino)-2-phenylethyl]pyridine-2-carboxamide
CID 42917068
N-[2-(diethylamino)-2-phenylethyl]-4-(methylsulfanylmethyl)benzamide
CID 18167081
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
[2-(carbamoylamino)-2-oxoethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate
CID 7805207

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide (CID 112765000) is N-[2-(diethylamino)-2-phenylethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide is CCN(CC)C(CNC(=O)c1ccccc1CSC1=NCCS1)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide?
The InChIKey is NYEJTWCYWOVKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3OS2/c1-3-26(4-2)21(18-10-6-5-7-11-18)16-25-22(27)20-13-9-8-12-19(20)17-29-23-24-14-15-28-23/h5-13,21H,3-4,14-17H2,1-2H3,(H,25,27).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide?
N-[2-(diethylamino)-2-phenylethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide has a molecular weight of 427.64 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 112765000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).