N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide

C16H10N2O4S — CID 7998972

IUPACN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccco1
InChIInChI=1S/C16H10N2O4S/c19-15(12-6-3-9-22-12)18-16-17-13(10-4-1-7-20-10)14(23-16)11-5-2-8-21-11/h1-9H,(H,17,18,19)
InChIKeyNOVCIKZNFNRXJB-UHFFFAOYSA-N
MW326.33 g/mol
LogP4.51
Rot. Bonds4

About N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 7998972) has the molecular formula C16H10N2O4S and a molecular weight of 326.33 g/mol. Its IUPAC name is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID7998972
Molecular FormulaC16H10N2O4S
Molecular Weight326.33 g/mol
Exact Mass326.04
IUPAC NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccco1
InChIInChI=1S/C16H10N2O4S/c19-15(12-6-3-9-22-12)18-16-17-13(10-4-1-7-20-10)14(23-16)11-5-2-8-21-11/h1-9H,(H,17,18,19)
InChIKeyNOVCIKZNFNRXJB-UHFFFAOYSA-N
XLogP4.51
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide (CID 7998972) is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccco1.
What is the InChIKey of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is NOVCIKZNFNRXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O4S/c19-15(12-6-3-9-22-12)18-16-17-13(10-4-1-7-20-10)14(23-16)11-5-2-8-21-11/h1-9H,(H,17,18,19).
What are the key properties of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 7998972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).