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

C14H16N4O3S — CID 90526767

IUPACN-ethyl-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESCCNC(=O)N1CCc2nc(NC(=O)c3ccco3)sc2C1
InChIInChI=1S/C14H16N4O3S/c1-2-15-14(20)18-6-5-9-11(8-18)22-13(16-9)17-12(19)10-4-3-7-21-10/h3-4,7H,2,5-6,8H2,1H3,(H,15,20)(H,16,17,19)
InChIKeyIOMPNZDBRUGXAD-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.08
Rot. Bonds3

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

N-ethyl-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 90526767) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-ethyl-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
PubChem CID90526767
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC NameN-ethyl-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESCCNC(=O)N1CCc2nc(NC(=O)c3ccco3)sc2C1
InChIInChI=1S/C14H16N4O3S/c1-2-15-14(20)18-6-5-9-11(8-18)22-13(16-9)17-12(19)10-4-3-7-21-10/h3-4,7H,2,5-6,8H2,1H3,(H,15,20)(H,16,17,19)
InChIKeyIOMPNZDBRUGXAD-UHFFFAOYSA-N
XLogP2.08
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The IUPAC name of N-ethyl-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (CID 90526767) is N-ethyl-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.
What is the SMILES notation for N-ethyl-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The canonical SMILES for N-ethyl-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is CCNC(=O)N1CCc2nc(NC(=O)c3ccco3)sc2C1.
What is the InChIKey of N-ethyl-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The InChIKey is IOMPNZDBRUGXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-2-15-14(20)18-6-5-9-11(8-18)22-13(16-9)17-12(19)10-4-3-7-21-10/h3-4,7H,2,5-6,8H2,1H3,(H,15,20)(H,16,17,19).
What are the key properties of N-ethyl-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
N-ethyl-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 90526767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).