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

C20H23N3O5S — CID 1451738

IUPACN-(2-methylpropyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESCOc1cc(-c2nnc(N(CC(C)C)C(=O)c3ccco3)s2)cc(OC)c1OC
InChIInChI=1S/C20H23N3O5S/c1-12(2)11-23(19(24)14-7-6-8-28-14)20-22-21-18(29-20)13-9-15(25-3)17(27-5)16(10-13)26-4/h6-10,12H,11H2,1-5H3
InChIKeyAREYRGBDCSIANN-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.13
Rot. Bonds8

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

N-(2-methylpropyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (PubChem CID 1451738) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
PubChem CID1451738
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN-(2-methylpropyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESCOc1cc(-c2nnc(N(CC(C)C)C(=O)c3ccco3)s2)cc(OC)c1OC
InChIInChI=1S/C20H23N3O5S/c1-12(2)11-23(19(24)14-7-6-8-28-14)20-22-21-18(29-20)13-9-15(25-3)17(27-5)16(10-13)26-4/h6-10,12H,11H2,1-5H3
InChIKeyAREYRGBDCSIANN-UHFFFAOYSA-N
XLogP4.13
TPSA86.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-N-(2-methylpropyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1451728
N-(2-methylpropyl)-2-phenoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1451737
N-(2-methylpropyl)-3-phenyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 1451731
3-phenyl-N-propan-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 1444947
4-phenyl-N-propyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3216733
N-butyl-3-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3212745
2-methoxy-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)benzamide
CID 1444764
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 62734384
2-pyridin-4-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazole
CID 13171497
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide
CID 30710635
N-[(1S,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]furan-2-carboxamide
CID 93071124
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxy-N-(2-methoxyethyl)benzamide
CID 3212617

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-(2-methylpropyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (CID 1451738) is N-(2-methylpropyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is COc1cc(-c2nnc(N(CC(C)C)C(=O)c3ccco3)s2)cc(OC)c1OC.
What is the InChIKey of N-(2-methylpropyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The InChIKey is AREYRGBDCSIANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-12(2)11-23(19(24)14-7-6-8-28-14)20-22-21-18(29-20)13-9-15(25-3)17(27-5)16(10-13)26-4/h6-10,12H,11H2,1-5H3.
What are the key properties of N-(2-methylpropyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
N-(2-methylpropyl)-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 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 1451738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).