3-chloro-5-(3-chlorothiophen-2-yl)-1,2,4-thiadiazole

C6H2Cl2N2S2 — CID 102944112

IUPAC3-chloro-5-(3-chlorothiophen-2-yl)-1,2,4-thiadiazole
SMILESClc1nsc(-c2sccc2Cl)n1
InChIInChI=1S/C6H2Cl2N2S2/c7-3-1-2-11-4(3)5-9-6(8)10-12-5/h1-2H
InChIKeyYSSBPMMRCZTBFC-UHFFFAOYSA-N
MW237.14 g/mol
LogP3.57
Rot. Bonds1

About 3-chloro-5-(3-chlorothiophen-2-yl)-1,2,4-thiadiazole

3-chloro-5-(3-chlorothiophen-2-yl)-1,2,4-thiadiazole (PubChem CID 102944112) has the molecular formula C6H2Cl2N2S2 and a molecular weight of 237.14 g/mol. Its IUPAC name is 3-chloro-5-(3-chlorothiophen-2-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-(3-chlorothiophen-2-yl)-1,2,4-thiadiazole
PubChem CID102944112
Molecular FormulaC6H2Cl2N2S2
Molecular Weight237.14 g/mol
Exact Mass235.90
IUPAC Name3-chloro-5-(3-chlorothiophen-2-yl)-1,2,4-thiadiazole
SMILESClc1nsc(-c2sccc2Cl)n1
InChIInChI=1S/C6H2Cl2N2S2/c7-3-1-2-11-4(3)5-9-6(8)10-12-5/h1-2H
InChIKeyYSSBPMMRCZTBFC-UHFFFAOYSA-N
XLogP3.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dichloro-2-(3-chlorothiophen-2-yl)pyrimidine
CID 131008069
1-[2-(3-chlorothiophen-2-yl)-5-methyl-1,3-thiazol-4-yl]ethanone
CID 130778856
6-(3-chlorothiophen-2-yl)-1,3,5-triazine-2,4-diamine
CID 112681516
3-chloro-5-(2-chlorofuran-3-yl)-1,2,4-thiadiazole
CID 106694860
2-chloro-4-(3-chlorothiophen-2-yl)-5-methylpyrimidine
CID 107360951
5-(5-bromo-1,3-thiazol-4-yl)-3-chloro-1,2,4-thiadiazole
CID 164654032
2-bromo-6-(3-chlorothiophen-2-yl)pyridine
CID 107360930
3-chloro-6-(3-chlorothiophen-2-yl)pyridazine
CID 107360927
3-chloro-5-(2,4-dimethylphenyl)-1,2,4-thiadiazole
CID 102944087
6-(3-chlorothiophen-2-yl)-4-methoxy-1H-1,3,5-triazin-2-one
CID 107362492
3-chloro-5-(3,4,5-trifluorophenyl)-1,2,4-thiadiazole
CID 102943984
3-(3-chlorothiophen-2-yl)-1-methylpyrazole
CID 142305317

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-chlorothiophen-2-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-(3-chlorothiophen-2-yl)-1,2,4-thiadiazole (CID 102944112) is 3-chloro-5-(3-chlorothiophen-2-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-(3-chlorothiophen-2-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-(3-chlorothiophen-2-yl)-1,2,4-thiadiazole is Clc1nsc(-c2sccc2Cl)n1.
What is the InChIKey of 3-chloro-5-(3-chlorothiophen-2-yl)-1,2,4-thiadiazole?
The InChIKey is YSSBPMMRCZTBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2N2S2/c7-3-1-2-11-4(3)5-9-6(8)10-12-5/h1-2H.
What are the key properties of 3-chloro-5-(3-chlorothiophen-2-yl)-1,2,4-thiadiazole?
3-chloro-5-(3-chlorothiophen-2-yl)-1,2,4-thiadiazole has a molecular weight of 237.14 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3-chlorothiophen-2-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 102944112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).