N-butyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

C20H23N3O5S — CID 650889

IUPACN-butyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESCCCCN(C(=O)c1ccco1)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1
InChIInChI=1S/C20H23N3O5S/c1-5-6-9-23(19(24)14-8-7-10-28-14)20-22-21-18(29-20)13-11-15(25-2)17(27-4)16(12-13)26-3/h7-8,10-12H,5-6,9H2,1-4H3
InChIKeyOFVLNBHHTWJVHV-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.27
Rot. Bonds9

About N-butyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

N-butyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (PubChem CID 650889) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-butyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
PubChem CID650889
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN-butyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESCCCCN(C(=O)c1ccco1)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1
InChIInChI=1S/C20H23N3O5S/c1-5-6-9-23(19(24)14-8-7-10-28-14)20-22-21-18(29-20)13-11-15(25-2)17(27-4)16(12-13)26-3/h7-8,10-12H,5-6,9H2,1-4H3
InChIKeyOFVLNBHHTWJVHV-UHFFFAOYSA-N
XLogP4.27
TPSA86.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Furan-2-carboxylic acid ethyl-[5-(4-methoxy-phenyl)-[1,3,4]thiadiazol-2-yl]-amide
CID 855559
N-[5-(3-propoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 1923184
(4E)-5-(3,4-dimethoxyphenyl)-4-[furan-2-yl(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
CID 2911539
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 3212619
Furan-2-carboxylic acid (2-methoxy-ethyl)-[5-(4-methoxy-phenyl)-[1,3,4]thiadiazol-2-yl]-amide
CID 3212717
Furan-2-carboxylic acid [5-(3,4-dimethoxy-phenyl)-[1,3,4]thiadiazol-2-yl]-(2-methoxy-ethyl)-amide
CID 3212736
Furan-2-carboxylic acid [5-(3,4-dimethoxy-phenyl)-[1,3,4]thiadiazol-2-yl]-methyl-amide
CID 24792690
N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-furamide
CID 654084
N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylfuran-2-carboxamide
CID 1444742
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylfuran-2-carboxamide
CID 1444809
N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 7243998
N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 7244007

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-butyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (CID 650889) is N-butyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-butyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-butyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is CCCCN(C(=O)c1ccco1)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1.
What is the InChIKey of N-butyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The InChIKey is OFVLNBHHTWJVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-5-6-9-23(19(24)14-8-7-10-28-14)20-22-21-18(29-20)13-11-15(25-2)17(27-4)16(12-13)26-3/h7-8,10-12H,5-6,9H2,1-4H3.
What are the key properties of N-butyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
N-butyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 4.27, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 650889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).