5-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]thiadiazole

C9H5ClF2N2S2 — CID 43408145

IUPAC5-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]thiadiazole
SMILESFc1ccc(F)c(SCc2nnsc2Cl)c1
InChIInChI=1S/C9H5ClF2N2S2/c10-9-7(13-14-16-9)4-15-8-3-5(11)1-2-6(8)12/h1-3H,4H2
InChIKeyXNBMXQIKAQVZAB-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.76
Rot. Bonds3

About 5-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]thiadiazole

5-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]thiadiazole (PubChem CID 43408145) has the molecular formula C9H5ClF2N2S2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 5-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]thiadiazole
PubChem CID43408145
Molecular FormulaC9H5ClF2N2S2
Molecular Weight278.74 g/mol
Exact Mass277.96
IUPAC Name5-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]thiadiazole
SMILESFc1ccc(F)c(SCc2nnsc2Cl)c1
InChIInChI=1S/C9H5ClF2N2S2/c10-9-7(13-14-16-9)4-15-8-3-5(11)1-2-6(8)12/h1-3H,4H2
InChIKeyXNBMXQIKAQVZAB-UHFFFAOYSA-N
XLogP3.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]thiadiazole (CID 43408145) is 5-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]thiadiazole is Fc1ccc(F)c(SCc2nnsc2Cl)c1.
What is the InChIKey of 5-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]thiadiazole?
The InChIKey is XNBMXQIKAQVZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2S2/c10-9-7(13-14-16-9)4-15-8-3-5(11)1-2-6(8)12/h1-3H,4H2.
What are the key properties of 5-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]thiadiazole?
5-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]thiadiazole has a molecular weight of 278.74 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]thiadiazole is sourced from PubChem (CID 43408145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).