3-chloro-5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-thiadiazole

C9H5Cl2FN2S — CID 102944096

IUPAC3-chloro-5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-thiadiazole
SMILESFc1cccc(Cl)c1Cc1nc(Cl)ns1
InChIInChI=1S/C9H5Cl2FN2S/c10-6-2-1-3-7(12)5(6)4-8-13-9(11)14-15-8/h1-3H,4H2
InChIKeyVUTIWFIUVGXGHA-UHFFFAOYSA-N
MW263.12 g/mol
LogP3.57
Rot. Bonds2

About 3-chloro-5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-thiadiazole

3-chloro-5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-thiadiazole (PubChem CID 102944096) has the molecular formula C9H5Cl2FN2S and a molecular weight of 263.12 g/mol. Its IUPAC name is 3-chloro-5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-thiadiazole
PubChem CID102944096
Molecular FormulaC9H5Cl2FN2S
Molecular Weight263.12 g/mol
Exact Mass261.95
IUPAC Name3-chloro-5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-thiadiazole
SMILESFc1cccc(Cl)c1Cc1nc(Cl)ns1
InChIInChI=1S/C9H5Cl2FN2S/c10-6-2-1-3-7(12)5(6)4-8-13-9(11)14-15-8/h1-3H,4H2
InChIKeyVUTIWFIUVGXGHA-UHFFFAOYSA-N
XLogP3.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,3-thiazole
CID 112683812
2-[(2-chloro-6-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976553
3-[(2-chloro-6-fluorophenyl)methyl]-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269214
1-[4-tert-butyl-2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362397
3-chloro-6-[(2-chloro-6-fluorophenyl)methyl]pyridazine
CID 6404599
N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63023881
CID 167462330
CID 167462330
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-1H-benzimidazole
CID 64724734
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6-dimethylpyrimidine
CID 63024195
2-[(2-chloro-6-fluorophenyl)methyl]-5-ethylthiophene
CID 178141590
5-[(2-chloro-6-fluorophenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazole
CID 55111709
3-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-one
CID 135368967

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-thiadiazole (CID 102944096) is 3-chloro-5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-thiadiazole is Fc1cccc(Cl)c1Cc1nc(Cl)ns1.
What is the InChIKey of 3-chloro-5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-thiadiazole?
The InChIKey is VUTIWFIUVGXGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2FN2S/c10-6-2-1-3-7(12)5(6)4-8-13-9(11)14-15-8/h1-3H,4H2.
What are the key properties of 3-chloro-5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-thiadiazole?
3-chloro-5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-thiadiazole has a molecular weight of 263.12 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-thiadiazole is sourced from PubChem (CID 102944096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).