2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-bromophenol

C14H10BrN3OS — CID 143729312

IUPAC2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-bromophenol
SMILESOc1ccc(Br)cc1-c1nnc(Nc2ccccc2)s1
InChIInChI=1S/C14H10BrN3OS/c15-9-6-7-12(19)11(8-9)13-17-18-14(20-13)16-10-4-2-1-3-5-10/h1-8,19H,(H,16,18)
InChIKeyLFASNTFHCZLEDJ-UHFFFAOYSA-N
MW348.23 g/mol
LogP4.42
Rot. Bonds3

About 2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-bromophenol

2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-bromophenol (PubChem CID 143729312) has the molecular formula C14H10BrN3OS and a molecular weight of 348.23 g/mol. Its IUPAC name is 2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-bromophenol.

Molecular Properties

Compound Name2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-bromophenol
PubChem CID143729312
Molecular FormulaC14H10BrN3OS
Molecular Weight348.23 g/mol
Exact Mass346.97
IUPAC Name2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-bromophenol
SMILESOc1ccc(Br)cc1-c1nnc(Nc2ccccc2)s1
InChIInChI=1S/C14H10BrN3OS/c15-9-6-7-12(19)11(8-9)13-17-18-14(20-13)16-10-4-2-1-3-5-10/h1-8,19H,(H,16,18)
InChIKeyLFASNTFHCZLEDJ-UHFFFAOYSA-N
XLogP4.42
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-methoxyphenol
CID 143729327
4-bromo-2-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]phenol
CID 137173492
2-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol
CID 135585492
4-bromo-2-(2-hydroxyphenyl)phenol
CID 11219298
4-chloro-6-[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol
CID 137210050
5-bromo-2-(5-iodo-1,3,4-thiadiazol-2-yl)phenol
CID 135978598
5-(2-methylphenyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 143729338
5-(5-bromo-2-hydroxyphenyl)-3H-1,3,4-thiadiazole-2-thione
CID 135770632
4-[5-(benzylamino)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol
CID 135541441
5-(3,4-difluorophenyl)-N-phenyl-1,3,4-thiadiazol-2-amine
CID 23878745
N-phenyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine
CID 24938565
1-[4-(5-anilino-1,3,4-thiadiazol-2-yl)phenyl]-3-phenylthiourea
CID 3002888

Frequently Asked Questions

What is the IUPAC name of 2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-bromophenol?
The IUPAC name of 2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-bromophenol (CID 143729312) is 2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-bromophenol.
What is the SMILES notation for 2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-bromophenol?
The canonical SMILES for 2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-bromophenol is Oc1ccc(Br)cc1-c1nnc(Nc2ccccc2)s1.
What is the InChIKey of 2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-bromophenol?
The InChIKey is LFASNTFHCZLEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3OS/c15-9-6-7-12(19)11(8-9)13-17-18-14(20-13)16-10-4-2-1-3-5-10/h1-8,19H,(H,16,18).
What are the key properties of 2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-bromophenol?
2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-bromophenol has a molecular weight of 348.23 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-bromophenol is sourced from PubChem (CID 143729312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).