butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

C20H30N4O5S — CID 130366198

IUPACbutyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESCCCCOC(=O)N1CCc2nc(N3CCN(C(=O)OC(C)(C)C)CC3)sc2C1=O
InChIInChI=1S/C20H30N4O5S/c1-5-6-13-28-19(27)24-8-7-14-15(16(24)25)30-17(21-14)22-9-11-23(12-10-22)18(26)29-20(2,3)4/h5-13H2,1-4H3
InChIKeyRXSKTONSMCODSN-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.14
Rot. Bonds4

About butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (PubChem CID 130366198) has the molecular formula C20H30N4O5S and a molecular weight of 438.55 g/mol. Its IUPAC name is butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.

Molecular Properties

Compound Namebutyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
PubChem CID130366198
Molecular FormulaC20H30N4O5S
Molecular Weight438.55 g/mol
Exact Mass438.19
IUPAC Namebutyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESCCCCOC(=O)N1CCc2nc(N3CCN(C(=O)OC(C)(C)C)CC3)sc2C1=O
InChIInChI=1S/C20H30N4O5S/c1-5-6-13-28-19(27)24-8-7-14-15(16(24)25)30-17(21-14)22-9-11-23(12-10-22)18(26)29-20(2,3)4/h5-13H2,1-4H3
InChIKeyRXSKTONSMCODSN-UHFFFAOYSA-N
XLogP3.14
TPSA92.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 2-bromo-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 90284882
tert-butyl 2-bromo-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;ethane
CID 144671243
ethyl 4-chloro-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 90440188
butyl 4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxylate
CID 108729541
tert-butyl 2-[(1E,3Z)-1-aminopenta-1,3-dien-2-yl]-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 167073700
methyl 4-chloro-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 51118404
tert-butyl 4-[4-(2-hydroxyethyl)-5-methyl-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 10711310
butyl aziridine-1-carboxylate
CID 12641
CID 89017886
CID 89017886
tritert-butyl 10-[4-heptyl-6-[4,7,10-tris[(2-methylpropan-2-yl)oxycarbonyl]-1,4,7,10-tetrazacyclododec-1-yl]-1,3,5-triazin-2-yl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
CID 53388012
butyl 2,4-dioxopiperidine-1-carboxylate
CID 175709097
butyl 4-oxoazepane-1-carboxylate
CID 23137098

Frequently Asked Questions

What is the IUPAC name of butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The IUPAC name of butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (CID 130366198) is butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.
What is the SMILES notation for butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The canonical SMILES for butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is CCCCOC(=O)N1CCc2nc(N3CCN(C(=O)OC(C)(C)C)CC3)sc2C1=O.
What is the InChIKey of butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The InChIKey is RXSKTONSMCODSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O5S/c1-5-6-13-28-19(27)24-8-7-14-15(16(24)25)30-17(21-14)22-9-11-23(12-10-22)18(26)29-20(2,3)4/h5-13H2,1-4H3.
What are the key properties of butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate has a molecular weight of 438.55 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is sourced from PubChem (CID 130366198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).