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

C17H21N3O2S3 — CID 2158854

IUPAC2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
SMILESC[C@H]1CCCN(C(=O)CSCC(=O)Nc2nc(-c3cccs3)cs2)C1
InChIInChI=1S/C17H21N3O2S3/c1-12-4-2-6-20(8-12)16(22)11-23-10-15(21)19-17-18-13(9-25-17)14-5-3-7-24-14/h3,5,7,9,12H,2,4,6,8,10-11H2,1H3,(H,18,19,21)/t12-/m0/s1
InChIKeyDYEOGTSJCKEJBO-LBPRGKRZSA-N
MW395.58 g/mol
LogP3.80
Rot. Bonds6

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

2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 2158854) has the molecular formula C17H21N3O2S3 and a molecular weight of 395.58 g/mol. Its IUPAC name is 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID2158854
Molecular FormulaC17H21N3O2S3
Molecular Weight395.58 g/mol
Exact Mass395.08
IUPAC Name2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
SMILESC[C@H]1CCCN(C(=O)CSCC(=O)Nc2nc(-c3cccs3)cs2)C1
InChIInChI=1S/C17H21N3O2S3/c1-12-4-2-6-20(8-12)16(22)11-23-10-15(21)19-17-18-13(9-25-17)14-5-3-7-24-14/h3,5,7,9,12H,2,4,6,8,10-11H2,1H3,(H,18,19,21)/t12-/m0/s1
InChIKeyDYEOGTSJCKEJBO-LBPRGKRZSA-N
XLogP3.80
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.58
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 5223813
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 4292505
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetamide
CID 4051688
N-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55648397
2-cyclopentyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 17404263
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 111542537
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 4145604
tert-butyl 3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 55467468
1-[(3R)-3-methylpiperidin-1-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 7457459
2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 41059378
2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3685808
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 2158825

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide (CID 2158854) is 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is C[C@H]1CCCN(C(=O)CSCC(=O)Nc2nc(-c3cccs3)cs2)C1.
What is the InChIKey of 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is DYEOGTSJCKEJBO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N3O2S3/c1-12-4-2-6-20(8-12)16(22)11-23-10-15(21)19-17-18-13(9-25-17)14-5-3-7-24-14/h3,5,7,9,12H,2,4,6,8,10-11H2,1H3,(H,18,19,21)/t12-/m0/s1.
What are the key properties of 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 395.58 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2158854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).