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

C23H22N2O5S — CID 16548905

IUPACN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1OCC
InChIInChI=1S/C23H22N2O5S/c1-3-11-28-16-10-9-15(14-19(16)27-4-2)22(26)25-23-24-20(17-7-5-12-29-17)21(31-23)18-8-6-13-30-18/h5-10,12-14H,3-4,11H2,1-2H3,(H,24,25,26)
InChIKeyFOCBQKVZWNZYPG-UHFFFAOYSA-N
MW438.51 g/mol
LogP6.10
Rot. Bonds9

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

N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide (PubChem CID 16548905) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide.

Molecular Properties

Compound NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide
PubChem CID16548905
Molecular FormulaC23H22N2O5S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1OCC
InChIInChI=1S/C23H22N2O5S/c1-3-11-28-16-10-9-15(14-19(16)27-4-2)22(26)25-23-24-20(17-7-5-12-29-17)21(31-23)18-8-6-13-30-18/h5-10,12-14H,3-4,11H2,1-2H3,(H,24,25,26)
InChIKeyFOCBQKVZWNZYPG-UHFFFAOYSA-N
XLogP6.10
TPSA86.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.51
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 7916686
N'-(3-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide
CID 9476415
N-(4-acetyl-1,3-thiazol-2-yl)-3-ethoxy-4-propoxybenzamide
CID 51248167
N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 23144498
N-(3-acetamidophenyl)-3-ethoxy-4-propoxybenzamide
CID 26103323
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide
CID 55373062
N-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide
CID 8882491
3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide
CID 134713578
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dipropoxybenzamide
CID 29411913
3-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)-4-propoxybenzamide
CID 26218687
4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide
CID 27228846
3-ethoxy-N',N'-dimethyl-4-propoxybenzohydrazide
CID 9164038

Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide?
The IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide (CID 16548905) is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide.
What is the SMILES notation for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide?
The canonical SMILES for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1OCC.
What is the InChIKey of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide?
The InChIKey is FOCBQKVZWNZYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5S/c1-3-11-28-16-10-9-15(14-19(16)27-4-2)22(26)25-23-24-20(17-7-5-12-29-17)21(31-23)18-8-6-13-30-18/h5-10,12-14H,3-4,11H2,1-2H3,(H,24,25,26).
What are the key properties of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide?
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide has a molecular weight of 438.51 g/mol, XLogP of 6.10, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide is sourced from PubChem (CID 16548905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).