3-chloro-5-(thiadiazol-4-yl)-1,2,4-oxadiazole

C4HClN4OS — CID 112571871

IUPAC3-chloro-5-(thiadiazol-4-yl)-1,2,4-oxadiazole
SMILESClc1noc(-c2csnn2)n1
InChIInChI=1S/C4HClN4OS/c5-4-6-3(10-8-4)2-1-11-9-7-2/h1H
InChIKeyOXFSEOUCHASFCZ-UHFFFAOYSA-N
MW188.60 g/mol
LogP1.24
Rot. Bonds1

About 3-chloro-5-(thiadiazol-4-yl)-1,2,4-oxadiazole

3-chloro-5-(thiadiazol-4-yl)-1,2,4-oxadiazole (PubChem CID 112571871) has the molecular formula C4HClN4OS and a molecular weight of 188.60 g/mol. Its IUPAC name is 3-chloro-5-(thiadiazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-chloro-5-(thiadiazol-4-yl)-1,2,4-oxadiazole
PubChem CID112571871
Molecular FormulaC4HClN4OS
Molecular Weight188.60 g/mol
Exact Mass187.96
IUPAC Name3-chloro-5-(thiadiazol-4-yl)-1,2,4-oxadiazole
SMILESClc1noc(-c2csnn2)n1
InChIInChI=1S/C4HClN4OS/c5-4-6-3(10-8-4)2-1-11-9-7-2/h1H
InChIKeyOXFSEOUCHASFCZ-UHFFFAOYSA-N
XLogP1.24
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.60
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,2,4-oxadiazole
CID 102661119
3-methyl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole
CID 130781126
2-amino-2-[5-(thiadiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633150
3-pyrrolidin-2-yl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole
CID 65216136
3-chloro-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 130821686
3-chloro-5-(2H-triazol-4-yl)-1,2,4-oxadiazole
CID 112571918
5-(5-bromothiophen-2-yl)-3-chloro-1,2,4-oxadiazole
CID 112572132
3-chloro-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 112572079
4-(5-chlorothiophen-2-yl)thiadiazole
CID 587020
N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 65215976
5-(thiadiazol-4-yl)thiatriazole
CID 68901680
3-chloro-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazole
CID 104672201

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(thiadiazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-chloro-5-(thiadiazol-4-yl)-1,2,4-oxadiazole (CID 112571871) is 3-chloro-5-(thiadiazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-chloro-5-(thiadiazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-chloro-5-(thiadiazol-4-yl)-1,2,4-oxadiazole is Clc1noc(-c2csnn2)n1.
What is the InChIKey of 3-chloro-5-(thiadiazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is OXFSEOUCHASFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HClN4OS/c5-4-6-3(10-8-4)2-1-11-9-7-2/h1H.
What are the key properties of 3-chloro-5-(thiadiazol-4-yl)-1,2,4-oxadiazole?
3-chloro-5-(thiadiazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 188.60 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(thiadiazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 112571871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).