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

C22H14N2O3S — CID 7916686

IUPACN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc2ccccc2c1
InChIInChI=1S/C22H14N2O3S/c25-21(16-10-9-14-5-1-2-6-15(14)13-16)24-22-23-19(17-7-3-11-26-17)20(28-22)18-8-4-12-27-18/h1-13H,(H,23,24,25)
InChIKeyJDCKHIVBGNQNFU-UHFFFAOYSA-N
MW386.43 g/mol
LogP6.07
Rot. Bonds4

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

N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide (PubChem CID 7916686) has the molecular formula C22H14N2O3S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
PubChem CID7916686
Molecular FormulaC22H14N2O3S
Molecular Weight386.43 g/mol
Exact Mass386.07
IUPAC NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc2ccccc2c1
InChIInChI=1S/C22H14N2O3S/c25-21(16-10-9-14-5-1-2-6-15(14)13-16)24-22-23-19(17-7-3-11-26-17)20(28-22)18-8-4-12-27-18/h1-13H,(H,23,24,25)
InChIKeyJDCKHIVBGNQNFU-UHFFFAOYSA-N
XLogP6.07
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]naphthalene-2-carboxamide?
The IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide (CID 7916686) is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide is O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide?
The InChIKey is JDCKHIVBGNQNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O3S/c25-21(16-10-9-14-5-1-2-6-15(14)13-16)24-22-23-19(17-7-3-11-26-17)20(28-22)18-8-4-12-27-18/h1-13H,(H,23,24,25).
What are the key properties of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide?
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 7916686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).