N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide

C15H19N3O3S — CID 136542782

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide
SMILESO=C(Nc1nc(C2CC2)cs1)C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C15H19N3O3S/c19-11-5-9-3-4-10(6-11)18(9)14(21)13(20)17-15-16-12(7-22-15)8-1-2-8/h7-11,19H,1-6H2,(H,16,17,20)
InChIKeyIRTLVNMIOUHQOF-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.47
Rot. Bonds2

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide (PubChem CID 136542782) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide
PubChem CID136542782
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide
SMILESO=C(Nc1nc(C2CC2)cs1)C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C15H19N3O3S/c19-11-5-9-3-4-10(6-11)18(9)14(21)13(20)17-15-16-12(7-22-15)8-1-2-8/h7-11,19H,1-6H2,(H,16,17,20)
InChIKeyIRTLVNMIOUHQOF-UHFFFAOYSA-N
XLogP1.47
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.47
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

1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
(1S)-2,2-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 33302453
4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid
CID 61479564
N-(4-cyclopropyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 47200518
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylpropanamide;hydrochloride
CID 119292978
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
CID 61482512
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylpiperidine-1-carboxamide
CID 47200504
(3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)oxolane-3-carboxamide
CID 94211482
(1R,3S,5S,6S,7R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6,7-dihydroxybicyclo[3.3.1]nonane-3-carboxamide
CID 167897147
cis-(1S,3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 32868715
4-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methoxybutanamide
CID 103155653
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
CID 47200519

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide (CID 136542782) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide is O=C(Nc1nc(C2CC2)cs1)C(=O)N1C2CCC1CC(O)C2.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide?
The InChIKey is IRTLVNMIOUHQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c19-11-5-9-3-4-10(6-11)18(9)14(21)13(20)17-15-16-12(7-22-15)8-1-2-8/h7-11,19H,1-6H2,(H,16,17,20).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide has a molecular weight of 321.40 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide is sourced from PubChem (CID 136542782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).