3-(4-methylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonyl chloride

C5H4ClN5O2S2 — CID 137166902

IUPAC3-(4-methylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonyl chloride
SMILESCc1nnsc1-c1n[nH]c(S(=O)(=O)Cl)n1
InChIInChI=1S/C5H4ClN5O2S2/c1-2-3(14-11-8-2)4-7-5(10-9-4)15(6,12)13/h1H3,(H,7,9,10)
InChIKeyUWJWAIDHZAVCDI-UHFFFAOYSA-N
MW265.71 g/mol
LogP0.56
Rot. Bonds2

About 3-(4-methylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonyl chloride

3-(4-methylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonyl chloride (PubChem CID 137166902) has the molecular formula C5H4ClN5O2S2 and a molecular weight of 265.71 g/mol. Its IUPAC name is 3-(4-methylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonyl chloride.

Molecular Properties

Compound Name3-(4-methylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonyl chloride
PubChem CID137166902
Molecular FormulaC5H4ClN5O2S2
Molecular Weight265.71 g/mol
Exact Mass264.95
IUPAC Name3-(4-methylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonyl chloride
SMILESCc1nnsc1-c1n[nH]c(S(=O)(=O)Cl)n1
InChIInChI=1S/C5H4ClN5O2S2/c1-2-3(14-11-8-2)4-7-5(10-9-4)15(6,12)13/h1H3,(H,7,9,10)
InChIKeyUWJWAIDHZAVCDI-UHFFFAOYSA-N
XLogP0.56
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonamide
CID 137166908
3-(3-ethyl-6-methylpyridazin-4-yl)-1H-1,2,4-triazole-5-sulfonyl chloride
CID 104673255
3-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazole-5-sulfonamide
CID 103407325
3-(2,5-dibromophenyl)-1H-1,2,4-triazole-5-sulfonyl chloride
CID 114376515
3-(3-methoxy-4-pyridinyl)-1H-1,2,4-triazole-5-sulfonyl chloride
CID 105064798
3-(4-chloro-3-fluorophenyl)-1H-1,2,4-triazole-5-sulfonyl chloride
CID 107996052
3-bromo-5-methylsulfonyl-1H-1,2,4-triazole;hydrochloride
CID 139026259
3-(4-chlorophenyl)-5-methylsulfonyl-1H-1,2,4-triazole
CID 726128
5-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-4-methylthiadiazole
CID 136836456
5-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylthiadiazole
CID 2809436
hydroxy-(4-methylthiadiazol-5-yl)methanesulfonic acid
CID 130965336
5-bromothiadiazole-4-sulfonyl chloride
CID 84711097

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonyl chloride?
The IUPAC name of 3-(4-methylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonyl chloride (CID 137166902) is 3-(4-methylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonyl chloride.
What is the SMILES notation for 3-(4-methylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonyl chloride?
The canonical SMILES for 3-(4-methylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonyl chloride is Cc1nnsc1-c1n[nH]c(S(=O)(=O)Cl)n1.
What is the InChIKey of 3-(4-methylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonyl chloride?
The InChIKey is UWJWAIDHZAVCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN5O2S2/c1-2-3(14-11-8-2)4-7-5(10-9-4)15(6,12)13/h1H3,(H,7,9,10).
What are the key properties of 3-(4-methylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonyl chloride?
3-(4-methylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonyl chloride has a molecular weight of 265.71 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonyl chloride is sourced from PubChem (CID 137166902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).