2-methyl-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide

C18H22N4O2S — CID 648924

IUPAC2-methyl-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(CC(=O)Nc2nccs2)CC1
InChIInChI=1S/C18H22N4O2S/c1-13-4-2-3-5-15(13)17(24)20-14-6-9-22(10-7-14)12-16(23)21-18-19-8-11-25-18/h2-5,8,11,14H,6-7,9-10,12H2,1H3,(H,20,24)(H,19,21,23)
InChIKeyFATVQEZGGRSPKG-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.28
Rot. Bonds5

About 2-methyl-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide

2-methyl-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide (PubChem CID 648924) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide
PubChem CID648924
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name2-methyl-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(CC(=O)Nc2nccs2)CC1
InChIInChI=1S/C18H22N4O2S/c1-13-4-2-3-5-15(13)17(24)20-14-6-9-22(10-7-14)12-16(23)21-18-19-8-11-25-18/h2-5,8,11,14H,6-7,9-10,12H2,1H3,(H,20,24)(H,19,21,23)
InChIKeyFATVQEZGGRSPKG-UHFFFAOYSA-N
XLogP2.28
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-(3-(1-acetylpiperazine-4-carbonyl)-4,5-dimethylbenzylthio)thiazol-2-yl)-4-((3,3-dimethylbutan-2-ylamino)methyl)benzamide
CID 11527400
N-2-Thiazolylbenzamide
CID 569547
4-Methyl-N-(1,3-thiazol-2-yl)benzamide
CID 576955
2-[5-[4-(4-methylpiperazin-1-yl)phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 135351555
2-[6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829002
2-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxoquinazolin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829043
2-(1-oxoisoindolin-2-yl)-2-phenyl-N-(thiazol-2-yl)acetamide
CID 45370166
3-(4-Benzyl-piperazin-1-yl)-N-thiazol-2-yl-propionamide
CID 652557
2-(3-fluorophenyl)-2-[5-[4-(1-methylpiperidin-4-yl)phenyl]-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 168278413
2-[5-[4-(1-methylpiperidin-4-yl)phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 168288146
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 2559025
2-(1,3-dioxoisoindolin-2-yl)-N-(thiazol-2-yl)acetamide
CID 2787059

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide (CID 648924) is 2-methyl-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide is Cc1ccccc1C(=O)NC1CCN(CC(=O)Nc2nccs2)CC1.
What is the InChIKey of 2-methyl-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide?
The InChIKey is FATVQEZGGRSPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-13-4-2-3-5-15(13)17(24)20-14-6-9-22(10-7-14)12-16(23)21-18-19-8-11-25-18/h2-5,8,11,14H,6-7,9-10,12H2,1H3,(H,20,24)(H,19,21,23).
What are the key properties of 2-methyl-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide?
2-methyl-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide has a molecular weight of 358.47 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 648924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).