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

C15H13N3O3S — CID 1409689

IUPACN-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESCOc1ccc(Cc2nnc(NC(=O)c3ccco3)s2)cc1
InChIInChI=1S/C15H13N3O3S/c1-20-11-6-4-10(5-7-11)9-13-17-18-15(22-13)16-14(19)12-3-2-8-21-12/h2-8H,9H2,1H3,(H,16,18,19)
InChIKeyAKILLFQNTLYQHV-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.98
Rot. Bonds5

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

N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (PubChem CID 1409689) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
PubChem CID1409689
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC NameN-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESCOc1ccc(Cc2nnc(NC(=O)c3ccco3)s2)cc1
InChIInChI=1S/C15H13N3O3S/c1-20-11-6-4-10(5-7-11)9-13-17-18-15(22-13)16-14(19)12-3-2-8-21-12/h2-8H,9H2,1H3,(H,16,18,19)
InChIKeyAKILLFQNTLYQHV-UHFFFAOYSA-N
XLogP2.98
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 744744
N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 5336169
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 5930483
N-[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 1387314
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 811287
N-(5-((2,4-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 659708
N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 672445
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 684730
N-(5-(p-tolyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 695191
N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 733781
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 795340
N-[5-(1-propylbutyl)-1,3,4-thiadiazol-2-yl]-2-furamide
CID 976184

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (CID 1409689) is N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is COc1ccc(Cc2nnc(NC(=O)c3ccco3)s2)cc1.
What is the InChIKey of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The InChIKey is AKILLFQNTLYQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-20-11-6-4-10(5-7-11)9-13-17-18-15(22-13)16-14(19)12-3-2-8-21-12/h2-8H,9H2,1H3,(H,16,18,19).
What are the key properties of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 1409689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).