ethyl 2-(1,3-benzodioxole-5-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

C17H17N3O5S — CID 41107119

IUPACethyl 2-(1,3-benzodioxole-5-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESCCOC(=O)N1CCc2nc(NC(=O)c3ccc4c(c3)OCO4)sc2C1
InChIInChI=1S/C17H17N3O5S/c1-2-23-17(22)20-6-5-11-14(8-20)26-16(18-11)19-15(21)10-3-4-12-13(7-10)25-9-24-12/h3-4,7H,2,5-6,8-9H2,1H3,(H,18,19,21)
InChIKeySEXOHMQRNFYGRS-UHFFFAOYSA-N
MW375.41 g/mol
LogP2.64
Rot. Bonds3

About ethyl 2-(1,3-benzodioxole-5-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

ethyl 2-(1,3-benzodioxole-5-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (PubChem CID 41107119) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is ethyl 2-(1,3-benzodioxole-5-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1,3-benzodioxole-5-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
PubChem CID41107119
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC Nameethyl 2-(1,3-benzodioxole-5-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESCCOC(=O)N1CCc2nc(NC(=O)c3ccc4c(c3)OCO4)sc2C1
InChIInChI=1S/C17H17N3O5S/c1-2-23-17(22)20-6-5-11-14(8-20)26-16(18-11)19-15(21)10-3-4-12-13(7-10)25-9-24-12/h3-4,7H,2,5-6,8-9H2,1H3,(H,18,19,21)
InChIKeySEXOHMQRNFYGRS-UHFFFAOYSA-N
XLogP2.64
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-(1,3-benzodioxole-5-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate with MolForge

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Related Compounds

N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide
CID 29199692
ethyl 4-[(4R)-2-(1,3-benzodioxole-5-carbonylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]piperazine-1-carboxylate
CID 40946274
6-O-ethyl 3-O-methyl 2-(1,3-benzodioxole-5-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 40959593
N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide
CID 90532709
N-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527396
tert-butyl 2-[(3,4-dimethylbenzoyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 24631594
ethyl 6-acetyl-2-(1,3-benzodioxole-5-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 40959584
ethyl 2-(1,3-benzodioxole-5-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 40959608
N-[5-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
CID 90531735
ethyl N-[5-(naphthalene-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527889
tert-butyl 2-[(6-methylpyridine-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 36769131
ethyl N-[5-(3,5-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527844

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-benzodioxole-5-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The IUPAC name of ethyl 2-(1,3-benzodioxole-5-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (CID 41107119) is ethyl 2-(1,3-benzodioxole-5-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 2-(1,3-benzodioxole-5-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The canonical SMILES for ethyl 2-(1,3-benzodioxole-5-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is CCOC(=O)N1CCc2nc(NC(=O)c3ccc4c(c3)OCO4)sc2C1.
What is the InChIKey of ethyl 2-(1,3-benzodioxole-5-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The InChIKey is SEXOHMQRNFYGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-2-23-17(22)20-6-5-11-14(8-20)26-16(18-11)19-15(21)10-3-4-12-13(7-10)25-9-24-12/h3-4,7H,2,5-6,8-9H2,1H3,(H,18,19,21).
What are the key properties of ethyl 2-(1,3-benzodioxole-5-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
ethyl 2-(1,3-benzodioxole-5-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate has a molecular weight of 375.41 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-benzodioxole-5-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is sourced from PubChem (CID 41107119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).