N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)furan-2-carboxamide

C9H8N4O2S — CID 22582983

IUPACN-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)furan-2-carboxamide
SMILESO=C(Nc1nnc2n1CCS2)c1ccco1
InChIInChI=1S/C9H8N4O2S/c14-7(6-2-1-4-15-6)10-8-11-12-9-13(8)3-5-16-9/h1-2,4H,3,5H2,(H,10,11,14)
InChIKeyVYUHKDGEZATTDM-UHFFFAOYSA-N
MW236.26 g/mol
LogP1.23
Rot. Bonds2

About N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)furan-2-carboxamide

N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)furan-2-carboxamide (PubChem CID 22582983) has the molecular formula C9H8N4O2S and a molecular weight of 236.26 g/mol. Its IUPAC name is N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)furan-2-carboxamide
PubChem CID22582983
Molecular FormulaC9H8N4O2S
Molecular Weight236.26 g/mol
Exact Mass236.04
IUPAC NameN-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)furan-2-carboxamide
SMILESO=C(Nc1nnc2n1CCS2)c1ccco1
InChIInChI=1S/C9H8N4O2S/c14-7(6-2-1-4-15-6)10-8-11-12-9-13(8)3-5-16-9/h1-2,4H,3,5H2,(H,10,11,14)
InChIKeyVYUHKDGEZATTDM-UHFFFAOYSA-N
XLogP1.23
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)furan-2-carboxamide?
The IUPAC name of N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)furan-2-carboxamide (CID 22582983) is N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)furan-2-carboxamide?
The canonical SMILES for N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)furan-2-carboxamide is O=C(Nc1nnc2n1CCS2)c1ccco1.
What is the InChIKey of N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)furan-2-carboxamide?
The InChIKey is VYUHKDGEZATTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2S/c14-7(6-2-1-4-15-6)10-8-11-12-9-13(8)3-5-16-9/h1-2,4H,3,5H2,(H,10,11,14).
What are the key properties of N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)furan-2-carboxamide?
N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)furan-2-carboxamide has a molecular weight of 236.26 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 22582983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).