5-chloro-4-[(4-chloropyrazol-1-yl)methyl]thiadiazole

C6H4Cl2N4S — CID 61034993

IUPAC5-chloro-4-[(4-chloropyrazol-1-yl)methyl]thiadiazole
SMILESClc1cnn(Cc2nnsc2Cl)c1
InChIInChI=1S/C6H4Cl2N4S/c7-4-1-9-12(2-4)3-5-6(8)13-11-10-5/h1-2H,3H2
InChIKeyWTWVSLPEQRTYSL-UHFFFAOYSA-N
MW235.10 g/mol
LogP2.09
Rot. Bonds2

About 5-chloro-4-[(4-chloropyrazol-1-yl)methyl]thiadiazole

5-chloro-4-[(4-chloropyrazol-1-yl)methyl]thiadiazole (PubChem CID 61034993) has the molecular formula C6H4Cl2N4S and a molecular weight of 235.10 g/mol. Its IUPAC name is 5-chloro-4-[(4-chloropyrazol-1-yl)methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(4-chloropyrazol-1-yl)methyl]thiadiazole
PubChem CID61034993
Molecular FormulaC6H4Cl2N4S
Molecular Weight235.10 g/mol
Exact Mass233.95
IUPAC Name5-chloro-4-[(4-chloropyrazol-1-yl)methyl]thiadiazole
SMILESClc1cnn(Cc2nnsc2Cl)c1
InChIInChI=1S/C6H4Cl2N4S/c7-4-1-9-12(2-4)3-5-6(8)13-11-10-5/h1-2H,3H2
InChIKeyWTWVSLPEQRTYSL-UHFFFAOYSA-N
XLogP2.09
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.10
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole
CID 79765764
5-chloro-4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]thiadiazole
CID 95569838
5-bromo-2-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole
CID 130615886
5-chloro-4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]thiadiazole
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2-[(5-chlorothiadiazol-4-yl)methyl]phthalazin-1-one
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1-(2-bromo-3,3,3-trifluoropropyl)-4-chloropyrazole
CID 64759722
2-(4-chloropyrazol-1-yl)ethylazanium
CID 7019314
2-(4-chloropyrazol-1-yl)ethanol
CID 7172186
5-chloro-6-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine
CID 62886659
4-[(4-chloropyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 54909727
[4-[(4-phenylpyrazol-1-yl)methyl]thiadiazol-5-yl]hydrazine
CID 62772041
5-bromo-2-[(4-chloropyrazol-1-yl)methyl]pyridine
CID 104809162

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(4-chloropyrazol-1-yl)methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(4-chloropyrazol-1-yl)methyl]thiadiazole (CID 61034993) is 5-chloro-4-[(4-chloropyrazol-1-yl)methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(4-chloropyrazol-1-yl)methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(4-chloropyrazol-1-yl)methyl]thiadiazole is Clc1cnn(Cc2nnsc2Cl)c1.
What is the InChIKey of 5-chloro-4-[(4-chloropyrazol-1-yl)methyl]thiadiazole?
The InChIKey is WTWVSLPEQRTYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N4S/c7-4-1-9-12(2-4)3-5-6(8)13-11-10-5/h1-2H,3H2.
What are the key properties of 5-chloro-4-[(4-chloropyrazol-1-yl)methyl]thiadiazole?
5-chloro-4-[(4-chloropyrazol-1-yl)methyl]thiadiazole has a molecular weight of 235.10 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(4-chloropyrazol-1-yl)methyl]thiadiazole is sourced from PubChem (CID 61034993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).