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

C16H15N3O4S — CID 654084

IUPACN-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESCOc1ccc(Cc2nnc(NC(=O)c3ccco3)s2)cc1OC
InChIInChI=1S/C16H15N3O4S/c1-21-11-6-5-10(8-13(11)22-2)9-14-18-19-16(24-14)17-15(20)12-4-3-7-23-12/h3-8H,9H2,1-2H3,(H,17,19,20)
InChIKeyDPVOFRLCVHZOCY-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.99
Rot. Bonds6

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

N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (PubChem CID 654084) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
PubChem CID654084
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC NameN-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESCOc1ccc(Cc2nnc(NC(=O)c3ccco3)s2)cc1OC
InChIInChI=1S/C16H15N3O4S/c1-21-11-6-5-10(8-13(11)22-2)9-14-18-19-16(24-14)17-15(20)12-4-3-7-23-12/h3-8H,9H2,1-2H3,(H,17,19,20)
InChIKeyDPVOFRLCVHZOCY-UHFFFAOYSA-N
XLogP2.99
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (CID 654084) is N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is COc1ccc(Cc2nnc(NC(=O)c3ccco3)s2)cc1OC.
What is the InChIKey of N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The InChIKey is DPVOFRLCVHZOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-21-11-6-5-10(8-13(11)22-2)9-14-18-19-16(24-14)17-15(20)12-4-3-7-23-12/h3-8H,9H2,1-2H3,(H,17,19,20).
What are the key properties of N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 654084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).