tert-butyl 4-(3-methylimino-8-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,4-a]pyridin-7-yl)piperidine-1-carboxylate

C18H27N3O3S — CID 23130943

IUPACtert-butyl 4-(3-methylimino-8-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,4-a]pyridin-7-yl)piperidine-1-carboxylate
SMILESC/N=c1\scc2n1CCC(C1CCN(C(=O)OC(C)(C)C)CC1)C2=O
InChIInChI=1S/C18H27N3O3S/c1-18(2,3)24-17(23)20-8-5-12(6-9-20)13-7-10-21-14(15(13)22)11-25-16(21)19-4/h11-13H,5-10H2,1-4H3/b19-16-
InChIKeyPGASJVWOPXAYQR-MNDPQUGUSA-N
MW365.50 g/mol
LogP2.93
Rot. Bonds1

About tert-butyl 4-(3-methylimino-8-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,4-a]pyridin-7-yl)piperidine-1-carboxylate

tert-butyl 4-(3-methylimino-8-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,4-a]pyridin-7-yl)piperidine-1-carboxylate (PubChem CID 23130943) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is tert-butyl 4-(3-methylimino-8-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,4-a]pyridin-7-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-methylimino-8-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,4-a]pyridin-7-yl)piperidine-1-carboxylate
PubChem CID23130943
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Nametert-butyl 4-(3-methylimino-8-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,4-a]pyridin-7-yl)piperidine-1-carboxylate
SMILESC/N=c1\scc2n1CCC(C1CCN(C(=O)OC(C)(C)C)CC1)C2=O
InChIInChI=1S/C18H27N3O3S/c1-18(2,3)24-17(23)20-8-5-12(6-9-20)13-7-10-21-14(15(13)22)11-25-16(21)19-4/h11-13H,5-10H2,1-4H3/b19-16-
InChIKeyPGASJVWOPXAYQR-MNDPQUGUSA-N
XLogP2.93
TPSA63.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-(3-methylimino-8-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,4-a]pyridin-7-yl)piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)piperidine-1-carboxylate
CID 23131079
tert-butyl (4aS,7aS)-7-oxo-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyridine-2-carboxylate
CID 155892275
tert-butyl (4aS,8aS)-8-oxo-1,3,4,4a,5,6,7,8a-octahydro-2,7-naphthyridine-2-carboxylate
CID 156559281
tert-butyl (1S,6R)-8-oxo-3-azabicyclo[4.2.0]octane-3-carboxylate
CID 97291563
tert-butyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)piperidine-1-carboxylate
CID 123685463
tert-butyl 4-[(3S)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate
CID 97300200
tert-butyl 7-(furan-2-yl)-1,4-thiazepane-4-carboxylate
CID 90632266
tert-butyl 4-(2,2-dichloro-3-oxocyclobutyl)piperidine-1-carboxylate
CID 155600525
tert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate
CID 96536723
tert-butyl 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 63788488
tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]piperidine-1-carboxylate
CID 135344448
tert-butyl 4-[2-(hydroxymethyl)cyclopropyl]piperidine-1-carboxylate
CID 58128555

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-methylimino-8-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,4-a]pyridin-7-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-methylimino-8-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,4-a]pyridin-7-yl)piperidine-1-carboxylate (CID 23130943) is tert-butyl 4-(3-methylimino-8-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,4-a]pyridin-7-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-methylimino-8-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,4-a]pyridin-7-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-methylimino-8-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,4-a]pyridin-7-yl)piperidine-1-carboxylate is C/N=c1\scc2n1CCC(C1CCN(C(=O)OC(C)(C)C)CC1)C2=O.
What is the InChIKey of tert-butyl 4-(3-methylimino-8-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,4-a]pyridin-7-yl)piperidine-1-carboxylate?
The InChIKey is PGASJVWOPXAYQR-MNDPQUGUSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-18(2,3)24-17(23)20-8-5-12(6-9-20)13-7-10-21-14(15(13)22)11-25-16(21)19-4/h11-13H,5-10H2,1-4H3/b19-16-.
What are the key properties of tert-butyl 4-(3-methylimino-8-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,4-a]pyridin-7-yl)piperidine-1-carboxylate?
tert-butyl 4-(3-methylimino-8-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,4-a]pyridin-7-yl)piperidine-1-carboxylate has a molecular weight of 365.50 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-methylimino-8-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,4-a]pyridin-7-yl)piperidine-1-carboxylate is sourced from PubChem (CID 23130943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).