ethyl N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate

C17H16N4O5S — CID 71788094

IUPACethyl N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
SMILESCCOC(=O)Nc1nc2c(s1)CN(C(=O)c1cc(-c3ccco3)on1)CC2
InChIInChI=1S/C17H16N4O5S/c1-2-24-17(23)19-16-18-10-5-6-21(9-14(10)27-16)15(22)11-8-13(26-20-11)12-4-3-7-25-12/h3-4,7-8H,2,5-6,9H2,1H3,(H,18,19,23)
InChIKeyLWWWIRXOKUTSRB-UHFFFAOYSA-N
MW388.41 g/mol
LogP3.16
Rot. Bonds4

About ethyl N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate

ethyl N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate (PubChem CID 71788094) has the molecular formula C17H16N4O5S and a molecular weight of 388.41 g/mol. Its IUPAC name is ethyl N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
PubChem CID71788094
Molecular FormulaC17H16N4O5S
Molecular Weight388.41 g/mol
Exact Mass388.08
IUPAC Nameethyl N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
SMILESCCOC(=O)Nc1nc2c(s1)CN(C(=O)c1cc(-c3ccco3)on1)CC2
InChIInChI=1S/C17H16N4O5S/c1-2-24-17(23)19-16-18-10-5-6-21(9-14(10)27-16)15(22)11-8-13(26-20-11)12-4-3-7-25-12/h3-4,7-8H,2,5-6,9H2,1H3,(H,18,19,23)
InChIKeyLWWWIRXOKUTSRB-UHFFFAOYSA-N
XLogP3.16
TPSA110.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
The IUPAC name of ethyl N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate (CID 71788094) is ethyl N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate.
What is the SMILES notation for ethyl N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
The canonical SMILES for ethyl N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate is CCOC(=O)Nc1nc2c(s1)CN(C(=O)c1cc(-c3ccco3)on1)CC2.
What is the InChIKey of ethyl N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
The InChIKey is LWWWIRXOKUTSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5S/c1-2-24-17(23)19-16-18-10-5-6-21(9-14(10)27-16)15(22)11-8-13(26-20-11)12-4-3-7-25-12/h3-4,7-8H,2,5-6,9H2,1H3,(H,18,19,23).
What are the key properties of ethyl N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
ethyl N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate has a molecular weight of 388.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate is sourced from PubChem (CID 71788094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).