N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C18H24N4OS2 — CID 3952616

IUPACN-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCCN1CCN(c2ccccc2NC(=O)CSc2nc(C)cs2)CC1
InChIInChI=1S/C18H24N4OS2/c1-3-21-8-10-22(11-9-21)16-7-5-4-6-15(16)20-17(23)13-25-18-19-14(2)12-24-18/h4-7,12H,3,8-11,13H2,1-2H3,(H,20,23)
InChIKeyYOKVKECXWDFONC-UHFFFAOYSA-N
MW376.55 g/mol
LogP3.32
Rot. Bonds6

About N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 3952616) has the molecular formula C18H24N4OS2 and a molecular weight of 376.55 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID3952616
Molecular FormulaC18H24N4OS2
Molecular Weight376.55 g/mol
Exact Mass376.14
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCCN1CCN(c2ccccc2NC(=O)CSc2nc(C)cs2)CC1
InChIInChI=1S/C18H24N4OS2/c1-3-21-8-10-22(11-9-21)16-7-5-4-6-15(16)20-17(23)13-25-18-19-14(2)12-24-18/h4-7,12H,3,8-11,13H2,1-2H3,(H,20,23)
InChIKeyYOKVKECXWDFONC-UHFFFAOYSA-N
XLogP3.32
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 3264830
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(methylamino)acetamide
CID 119901038
N-(2,3-dimethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532833
methyl 2-[[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 2533012
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 17482833
N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3569422
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4264570
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 39911869
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4044383
3-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide
CID 119954238
4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride
CID 119901069
N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4031072

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 3952616) is N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is CCN1CCN(c2ccccc2NC(=O)CSc2nc(C)cs2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is YOKVKECXWDFONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS2/c1-3-21-8-10-22(11-9-21)16-7-5-4-6-15(16)20-17(23)13-25-18-19-14(2)12-24-18/h4-7,12H,3,8-11,13H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 376.55 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3952616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).