tert-butyl 2-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

C21H26N4O5S — CID 55540270

IUPACtert-butyl 2-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2nc(NC(=O)C3CC(=O)N(Cc4ccco4)C3)sc2C1
InChIInChI=1S/C21H26N4O5S/c1-21(2,3)30-20(28)24-7-6-15-16(12-24)31-19(22-15)23-18(27)13-9-17(26)25(10-13)11-14-5-4-8-29-14/h4-5,8,13H,6-7,9-12H2,1-3H3,(H,22,23,27)
InChIKeyYKKRQXKGSYIOIS-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.02
Rot. Bonds4

About tert-butyl 2-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

tert-butyl 2-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (PubChem CID 55540270) has the molecular formula C21H26N4O5S and a molecular weight of 446.53 g/mol. Its IUPAC name is tert-butyl 2-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
PubChem CID55540270
Molecular FormulaC21H26N4O5S
Molecular Weight446.53 g/mol
Exact Mass446.16
IUPAC Nametert-butyl 2-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2nc(NC(=O)C3CC(=O)N(Cc4ccco4)C3)sc2C1
InChIInChI=1S/C21H26N4O5S/c1-21(2,3)30-20(28)24-7-6-15-16(12-24)31-19(22-15)23-18(27)13-9-17(26)25(10-13)11-14-5-4-8-29-14/h4-5,8,13H,6-7,9-12H2,1-3H3,(H,22,23,27)
InChIKeyYKKRQXKGSYIOIS-UHFFFAOYSA-N
XLogP3.02
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 97264226
(3R)-N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51968878
(3R)-N-(1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 8882067
1-benzyl-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 112794446
tert-butyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 46603613
tert-butyl 3-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 175075938
(3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 31036670
tert-butyl 2-[(1-butanoylpiperidine-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 55884144
tert-butyl 2-[(2-naphthalen-1-ylacetyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 46517785
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
tert-butyl 4-(furan-2-ylmethyl)-6-hydroxy-3-oxo-1,4-diazepane-1-carboxylate
CID 118738606

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 2-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (CID 55540270) is tert-butyl 2-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 2-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 2-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is CC(C)(C)OC(=O)N1CCc2nc(NC(=O)C3CC(=O)N(Cc4ccco4)C3)sc2C1.
What is the InChIKey of tert-butyl 2-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The InChIKey is YKKRQXKGSYIOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5S/c1-21(2,3)30-20(28)24-7-6-15-16(12-24)31-19(22-15)23-18(27)13-9-17(26)25(10-13)11-14-5-4-8-29-14/h4-5,8,13H,6-7,9-12H2,1-3H3,(H,22,23,27).
What are the key properties of tert-butyl 2-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
tert-butyl 2-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate has a molecular weight of 446.53 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is sourced from PubChem (CID 55540270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).