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

C19H23N3O2S2 — CID 3685808

IUPAC2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCC1CCCCN1C(=O)CSCC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H23N3O2S2/c1-14-7-5-6-10-22(14)18(24)13-25-12-17(23)21-19-20-16(11-26-19)15-8-3-2-4-9-15/h2-4,8-9,11,14H,5-7,10,12-13H2,1H3,(H,20,21,23)
InChIKeyJFDVKWCSDGEGGI-UHFFFAOYSA-N
MW389.55 g/mol
LogP3.88
Rot. Bonds6

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

2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 3685808) has the molecular formula C19H23N3O2S2 and a molecular weight of 389.55 g/mol. Its IUPAC name is 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID3685808
Molecular FormulaC19H23N3O2S2
Molecular Weight389.55 g/mol
Exact Mass389.12
IUPAC Name2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCC1CCCCN1C(=O)CSCC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H23N3O2S2/c1-14-7-5-6-10-22(14)18(24)13-25-12-17(23)21-19-20-16(11-26-19)15-8-3-2-4-9-15/h2-4,8-9,11,14H,5-7,10,12-13H2,1H3,(H,20,21,23)
InChIKeyJFDVKWCSDGEGGI-UHFFFAOYSA-N
XLogP3.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanylacetamide
CID 40856252
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 4644165
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 4190693
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 2158825
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetamide
CID 4051688
1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-one
CID 133372121
2-[[4-methyl-5-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
CID 3206710
2-(cyclohexylamino)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 856357
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-methylpiperidine-1-carbodithioate
CID 27666282
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 4145604
N-(3,4-dimethylphenyl)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetamide
CID 1412311

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 3685808) is 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is CC1CCCCN1C(=O)CSCC(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is JFDVKWCSDGEGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S2/c1-14-7-5-6-10-22(14)18(24)13-25-12-17(23)21-19-20-16(11-26-19)15-8-3-2-4-9-15/h2-4,8-9,11,14H,5-7,10,12-13H2,1H3,(H,20,21,23).
What are the key properties of 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 389.55 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3685808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).