1-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetyl]piperidine-4-carboxamide

C11H16N4O3S — CID 108530780

IUPAC1-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C(=O)NC2=NCCS2)CC1
InChIInChI=1S/C11H16N4O3S/c12-8(16)7-1-4-15(5-2-7)10(18)9(17)14-11-13-3-6-19-11/h7H,1-6H2,(H2,12,16)(H,13,14,17)
InChIKeyRCCJQTHZBCPMSU-UHFFFAOYSA-N
MW284.34 g/mol
LogP-1.07
Rot. Bonds1

About 1-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetyl]piperidine-4-carboxamide

1-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetyl]piperidine-4-carboxamide (PubChem CID 108530780) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetyl]piperidine-4-carboxamide
PubChem CID108530780
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name1-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C(=O)NC2=NCCS2)CC1
InChIInChI=1S/C11H16N4O3S/c12-8(16)7-1-4-15(5-2-7)10(18)9(17)14-11-13-3-6-19-11/h7H,1-6H2,(H2,12,16)(H,13,14,17)
InChIKeyRCCJQTHZBCPMSU-UHFFFAOYSA-N
XLogP-1.07
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxoacetamide
CID 108508435
1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoacetyl]piperidine-4-carboxamide
CID 44996912
1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoacetyl]piperidine-4-carboxamide
CID 108530325
1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxamide
CID 44902818
1-[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]piperidine-4-carboxamide
CID 44902219
1-[2-(benzhydrylamino)-2-oxoacetyl]piperidine-4-carboxamide
CID 45001400
1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidine-4-carboxamide
CID 80625054
1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide
CID 108503193
ethyl 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoacetyl]piperidine-4-carboxylate
CID 108504264
1-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)amino]-2-oxoacetyl]piperidine-4-carboxamide
CID 7586451
(3R)-1-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 94077578
N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide
CID 108529955

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetyl]piperidine-4-carboxamide (CID 108530780) is 1-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C(=O)NC2=NCCS2)CC1.
What is the InChIKey of 1-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetyl]piperidine-4-carboxamide?
The InChIKey is RCCJQTHZBCPMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c12-8(16)7-1-4-15(5-2-7)10(18)9(17)14-11-13-3-6-19-11/h7H,1-6H2,(H2,12,16)(H,13,14,17).
What are the key properties of 1-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetyl]piperidine-4-carboxamide?
1-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetyl]piperidine-4-carboxamide has a molecular weight of 284.34 g/mol, XLogP of -1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 108530780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).