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

C18H19N3O5S — CID 3212736

IUPACN-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCN(C(=O)c1ccco1)c1nnc(-c2ccc(OC)c(OC)c2)s1
InChIInChI=1S/C18H19N3O5S/c1-23-10-8-21(17(22)14-5-4-9-26-14)18-20-19-16(27-18)12-6-7-13(24-2)15(11-12)25-3/h4-7,9,11H,8,10H2,1-3H3
InChIKeyXOJRHTMITLNYTM-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.11
Rot. Bonds8

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

N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide (PubChem CID 3212736) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide
PubChem CID3212736
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCN(C(=O)c1ccco1)c1nnc(-c2ccc(OC)c(OC)c2)s1
InChIInChI=1S/C18H19N3O5S/c1-23-10-8-21(17(22)14-5-4-9-26-14)18-20-19-16(27-18)12-6-7-13(24-2)15(11-12)25-3/h4-7,9,11H,8,10H2,1-3H3
InChIKeyXOJRHTMITLNYTM-UHFFFAOYSA-N
XLogP3.11
TPSA86.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 5930483
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide
CID 1409689
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 747746
N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 1383288
N-butyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-furancarboxamide
CID 650889
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
3-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 2524027
(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
1-(furan-2-carbonyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 6497509

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide?
The IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide (CID 3212736) is N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide.
What is the SMILES notation for N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide?
The canonical SMILES for N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide is COCCN(C(=O)c1ccco1)c1nnc(-c2ccc(OC)c(OC)c2)s1.
What is the InChIKey of N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide?
The InChIKey is XOJRHTMITLNYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-23-10-8-21(17(22)14-5-4-9-26-14)18-20-19-16(27-18)12-6-7-13(24-2)15(11-12)25-3/h4-7,9,11H,8,10H2,1-3H3.
What are the key properties of N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide?
N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 3.11, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide is sourced from PubChem (CID 3212736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).