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

C14H10BrN3O3S — CID 1387314

IUPACN-[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(COc2ccc(Br)cc2)s1)c1ccco1
InChIInChI=1S/C14H10BrN3O3S/c15-9-3-5-10(6-4-9)21-8-12-17-18-14(22-12)16-13(19)11-2-1-7-20-11/h1-7H,8H2,(H,16,18,19)
InChIKeyBYRNDJHNHSHWDK-UHFFFAOYSA-N
MW380.22 g/mol
LogP3.72
Rot. Bonds5

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

N-[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (PubChem CID 1387314) has the molecular formula C14H10BrN3O3S and a molecular weight of 380.22 g/mol. Its IUPAC name is N-[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
PubChem CID1387314
Molecular FormulaC14H10BrN3O3S
Molecular Weight380.22 g/mol
Exact Mass378.96
IUPAC NameN-[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(COc2ccc(Br)cc2)s1)c1ccco1
InChIInChI=1S/C14H10BrN3O3S/c15-9-3-5-10(6-4-9)21-8-12-17-18-14(22-12)16-13(19)11-2-1-7-20-11/h1-7H,8H2,(H,16,18,19)
InChIKeyBYRNDJHNHSHWDK-UHFFFAOYSA-N
XLogP3.72
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.22
LogP ≤ 53.72
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-((2,4-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 659708
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 795340
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 874241
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-furancarboxamide
CID 665745
N-(5-benzyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 684928
N-(5-phenethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 811280
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-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2-furamide
CID 659613

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (CID 1387314) is N-[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is O=C(Nc1nnc(COc2ccc(Br)cc2)s1)c1ccco1.
What is the InChIKey of N-[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The InChIKey is BYRNDJHNHSHWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O3S/c15-9-3-5-10(6-4-9)21-8-12-17-18-14(22-12)16-13(19)11-2-1-7-20-11/h1-7H,8H2,(H,16,18,19).
What are the key properties of N-[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
N-[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide has a molecular weight of 380.22 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 1387314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).