N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide

C19H12BrN3OS — CID 23966330

IUPACN-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(Br)cc2)s1)c1cccc2ccccc12
InChIInChI=1S/C19H12BrN3OS/c20-14-10-8-13(9-11-14)18-22-23-19(25-18)21-17(24)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H,21,23,24)
InChIKeyDCZCAHZYYIIGKE-UHFFFAOYSA-N
MW410.30 g/mol
LogP5.37
Rot. Bonds3

About N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide

N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide (PubChem CID 23966330) has the molecular formula C19H12BrN3OS and a molecular weight of 410.30 g/mol. Its IUPAC name is N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
PubChem CID23966330
Molecular FormulaC19H12BrN3OS
Molecular Weight410.30 g/mol
Exact Mass408.99
IUPAC NameN-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(Br)cc2)s1)c1cccc2ccccc12
InChIInChI=1S/C19H12BrN3OS/c20-14-10-8-13(9-11-14)18-22-23-19(25-18)21-17(24)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H,21,23,24)
InChIKeyDCZCAHZYYIIGKE-UHFFFAOYSA-N
XLogP5.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.30
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2,3-dimethoxybenzamide
CID 16813829
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide
CID 2881332
2-bromo-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 23969392
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 1307564
N-(5-phenyl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide
CID 134011955
4-bromo-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55824791
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-chlorobenzamide
CID 5050273
2-bromo-N-[5-[4-(3-hydroxyphenyl)phenyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 171344955
N-[2-[4-(4-bromophenoxy)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide
CID 163347422
4-bromo-N-[5-[4-(4-bromophenoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 155943213
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 162670092
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 82176851

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide (CID 23966330) is N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide is O=C(Nc1nnc(-c2ccc(Br)cc2)s1)c1cccc2ccccc12.
What is the InChIKey of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide?
The InChIKey is DCZCAHZYYIIGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN3OS/c20-14-10-8-13(9-11-14)18-22-23-19(25-18)21-17(24)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H,21,23,24).
What are the key properties of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide?
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide has a molecular weight of 410.30 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 23966330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).