4-chloro-6-[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol

C14H9ClFN3O2S — CID 137210050

IUPAC4-chloro-6-[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol
SMILESOc1cc(O)c(-c2nnc(Nc3ccc(F)cc3)s2)cc1Cl
InChIInChI=1S/C14H9ClFN3O2S/c15-10-5-9(11(20)6-12(10)21)13-18-19-14(22-13)17-8-3-1-7(16)2-4-8/h1-6,20-21H,(H,17,19)
InChIKeyGCEMYRRTENOITQ-UHFFFAOYSA-N
MW337.76 g/mol
LogP4.15
Rot. Bonds3

About 4-chloro-6-[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol

4-chloro-6-[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol (PubChem CID 137210050) has the molecular formula C14H9ClFN3O2S and a molecular weight of 337.76 g/mol. Its IUPAC name is 4-chloro-6-[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-chloro-6-[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol
PubChem CID137210050
Molecular FormulaC14H9ClFN3O2S
Molecular Weight337.76 g/mol
Exact Mass337.01
IUPAC Name4-chloro-6-[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol
SMILESOc1cc(O)c(-c2nnc(Nc3ccc(F)cc3)s2)cc1Cl
InChIInChI=1S/C14H9ClFN3O2S/c15-10-5-9(11(20)6-12(10)21)13-18-19-14(22-13)17-8-3-1-7(16)2-4-8/h1-6,20-21H,(H,17,19)
InChIKeyGCEMYRRTENOITQ-UHFFFAOYSA-N
XLogP4.15
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-chloro-1-methylpyrazol-3-yl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 19574954
N-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 156770995
2-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol
CID 135585492
2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-bromophenol
CID 143729312
2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-methoxyphenol
CID 143729327
6-bromo-3-[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]chromen-2-one
CID 1119356
N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 7096008
methyl 4-chloro-2-(4-fluoroanilino)-1,3-thiazole-5-carboxylate
CID 60845269
N-[5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 976096
4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 166194872
1-(4-fluorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]thiourea
CID 132524450
N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine
CID 1258107

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol?
The IUPAC name of 4-chloro-6-[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol (CID 137210050) is 4-chloro-6-[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol.
What is the SMILES notation for 4-chloro-6-[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol?
The canonical SMILES for 4-chloro-6-[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol is Oc1cc(O)c(-c2nnc(Nc3ccc(F)cc3)s2)cc1Cl.
What is the InChIKey of 4-chloro-6-[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol?
The InChIKey is GCEMYRRTENOITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O2S/c15-10-5-9(11(20)6-12(10)21)13-18-19-14(22-13)17-8-3-1-7(16)2-4-8/h1-6,20-21H,(H,17,19).
What are the key properties of 4-chloro-6-[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol?
4-chloro-6-[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol has a molecular weight of 337.76 g/mol, XLogP of 4.15, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol is sourced from PubChem (CID 137210050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).