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

C8H9ClN4S — CID 102943886

IUPAC3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-thiadiazole
SMILESCc1nn(C)c(C)c1-c1nc(Cl)ns1
InChIInChI=1S/C8H9ClN4S/c1-4-6(5(2)13(3)11-4)7-10-8(9)12-14-7/h1-3H3
InChIKeyJSQBXSFGIRIFST-UHFFFAOYSA-N
MW228.71 g/mol
LogP2.21
Rot. Bonds1

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

3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-thiadiazole (PubChem CID 102943886) has the molecular formula C8H9ClN4S and a molecular weight of 228.71 g/mol. Its IUPAC name is 3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-thiadiazole
PubChem CID102943886
Molecular FormulaC8H9ClN4S
Molecular Weight228.71 g/mol
Exact Mass228.02
IUPAC Name3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-thiadiazole
SMILESCc1nn(C)c(C)c1-c1nc(Cl)ns1
InChIInChI=1S/C8H9ClN4S/c1-4-6(5(2)13(3)11-4)7-10-8(9)12-14-7/h1-3H3
InChIKeyJSQBXSFGIRIFST-UHFFFAOYSA-N
XLogP2.21
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.71
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 112571923
[2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]methanamine
CID 61280679
3-(3,5-dichlorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 45492940
4-(4-chlorophenyl)-1,3,5-trimethylpyrazole
CID 142305322
2-(1,3,5-trimethylpyrazol-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975849
2-(1,3,5-trimethylpyrazol-4-yl)-1,3-benzothiazol-6-amine
CID 66201320
4-(3,5-dimethylthiophen-2-yl)-1,3,5-trimethylpyrazole
CID 58458804
2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 117091985
4-(2-methylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxylic acid
CID 114360493
ethyl 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxylate
CID 115422116
2-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 55032898
3-thiophen-2-yl-6-(1,3,5-trimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 45494735

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-thiadiazole (CID 102943886) is 3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-thiadiazole is Cc1nn(C)c(C)c1-c1nc(Cl)ns1.
What is the InChIKey of 3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-thiadiazole?
The InChIKey is JSQBXSFGIRIFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4S/c1-4-6(5(2)13(3)11-4)7-10-8(9)12-14-7/h1-3H3.
What are the key properties of 3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-thiadiazole?
3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-thiadiazole has a molecular weight of 228.71 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).