N'-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-(1,3-thiazol-2-yl)propanediamide

C15H22N4O3S — CID 75371274

IUPACN'-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-(1,3-thiazol-2-yl)propanediamide
SMILESCC(NC(=O)CC(=O)Nc1nccs1)C(=O)N1CCCCC1C
InChIInChI=1S/C15H22N4O3S/c1-10-5-3-4-7-19(10)14(22)11(2)17-12(20)9-13(21)18-15-16-6-8-23-15/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,17,20)(H,16,18,21)
InChIKeyYUOSUCXCVBNFNB-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.38
Rot. Bonds5

About N'-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-(1,3-thiazol-2-yl)propanediamide

N'-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-(1,3-thiazol-2-yl)propanediamide (PubChem CID 75371274) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is N'-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-(1,3-thiazol-2-yl)propanediamide.

Molecular Properties

Compound NameN'-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-(1,3-thiazol-2-yl)propanediamide
PubChem CID75371274
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC NameN'-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-(1,3-thiazol-2-yl)propanediamide
SMILESCC(NC(=O)CC(=O)Nc1nccs1)C(=O)N1CCCCC1C
InChIInChI=1S/C15H22N4O3S/c1-10-5-3-4-7-19(10)14(22)11(2)17-12(20)9-13(21)18-15-16-6-8-23-15/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,17,20)(H,16,18,21)
InChIKeyYUOSUCXCVBNFNB-UHFFFAOYSA-N
XLogP1.38
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-yl]acetamide
CID 95770213
1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-(pyridin-4-ylmethyl)urea
CID 95330368
(5aS,9aR)-N-(1,3-thiazol-2-yl)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine-1-carboxamide
CID 97255258
2-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 106743843
1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-one
CID 133372121
methyl (2R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-2-carboxylate
CID 79833913
N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-(4-nitrophenoxy)acetamide
CID 95272265
2-cyclohexylsulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 2434094
3-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 59660018
2-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 141028315
1-cyclopropyl-3-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea
CID 95285970
(2S)-2-acetamido-2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide
CID 25363384

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-(1,3-thiazol-2-yl)propanediamide?
The IUPAC name of N'-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-(1,3-thiazol-2-yl)propanediamide (CID 75371274) is N'-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-(1,3-thiazol-2-yl)propanediamide.
What is the SMILES notation for N'-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-(1,3-thiazol-2-yl)propanediamide?
The canonical SMILES for N'-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-(1,3-thiazol-2-yl)propanediamide is CC(NC(=O)CC(=O)Nc1nccs1)C(=O)N1CCCCC1C.
What is the InChIKey of N'-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-(1,3-thiazol-2-yl)propanediamide?
The InChIKey is YUOSUCXCVBNFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-10-5-3-4-7-19(10)14(22)11(2)17-12(20)9-13(21)18-15-16-6-8-23-15/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,17,20)(H,16,18,21).
What are the key properties of N'-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-(1,3-thiazol-2-yl)propanediamide?
N'-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-(1,3-thiazol-2-yl)propanediamide has a molecular weight of 338.43 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-(1,3-thiazol-2-yl)propanediamide is sourced from PubChem (CID 75371274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).