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

C17H17N3O4S — CID 134710433

IUPACN-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-5-(3-methoxyphenyl)furan-2-carboxamide
SMILESCOc1cccc(-c2ccc(C(=O)Nc3nnc(C(C)OC)s3)o2)c1
InChIInChI=1S/C17H17N3O4S/c1-10(22-2)16-19-20-17(25-16)18-15(21)14-8-7-13(24-14)11-5-4-6-12(9-11)23-3/h4-10H,1-3H3,(H,18,20,21)
InChIKeyJSGYGFJUTZQZFU-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.77
Rot. Bonds6

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

N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-5-(3-methoxyphenyl)furan-2-carboxamide (PubChem CID 134710433) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-5-(3-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-5-(3-methoxyphenyl)furan-2-carboxamide
PubChem CID134710433
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-5-(3-methoxyphenyl)furan-2-carboxamide
SMILESCOc1cccc(-c2ccc(C(=O)Nc3nnc(C(C)OC)s3)o2)c1
InChIInChI=1S/C17H17N3O4S/c1-10(22-2)16-19-20-17(25-16)18-15(21)14-8-7-13(24-14)11-5-4-6-12(9-11)23-3/h4-10H,1-3H3,(H,18,20,21)
InChIKeyJSGYGFJUTZQZFU-UHFFFAOYSA-N
XLogP3.77
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-amino-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 7414353
5-(4-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 46975075
(2R)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide
CID 7288486
N-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 3588829
2-chloro-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 792656
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(furan-2-yl)furan-2-carboxamide
CID 71690111
5-(3-chlorophenyl)-N-(4-methoxyphenyl)furan-2-carboxamide
CID 880701
N-tert-butyl-5-[3-[(1S)-1-methoxyethyl]phenyl]furan-2-carboxamide
CID 126433393
N-(3-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1289408
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-5-phenylfuran-2-carboxamide
CID 17092650
5-[3-[(1R)-1-methoxyethyl]phenyl]furan-2-carboxamide
CID 126453687
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-5-(3-methoxyphenyl)furan-2-carboxamide
CID 143053482

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-5-(3-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-5-(3-methoxyphenyl)furan-2-carboxamide (CID 134710433) is N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-5-(3-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-5-(3-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-5-(3-methoxyphenyl)furan-2-carboxamide is COc1cccc(-c2ccc(C(=O)Nc3nnc(C(C)OC)s3)o2)c1.
What is the InChIKey of N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-5-(3-methoxyphenyl)furan-2-carboxamide?
The InChIKey is JSGYGFJUTZQZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-10(22-2)16-19-20-17(25-16)18-15(21)14-8-7-13(24-14)11-5-4-6-12(9-11)23-3/h4-10H,1-3H3,(H,18,20,21).
What are the key properties of N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-5-(3-methoxyphenyl)furan-2-carboxamide?
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-5-(3-methoxyphenyl)furan-2-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-5-(3-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 134710433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).