5-chloro-4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]thiadiazole

C8H9ClN4S2 — CID 62408977

IUPAC5-chloro-4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]thiadiazole
SMILESCc1cc(SCc2nnsc2Cl)n(C)n1
InChIInChI=1S/C8H9ClN4S2/c1-5-3-7(13(2)11-5)14-4-6-8(9)15-12-10-6/h3H,4H2,1-2H3
InChIKeyBMKAFOAWAVLYLS-UHFFFAOYSA-N
MW260.78 g/mol
LogP2.53
Rot. Bonds3

About 5-chloro-4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]thiadiazole

5-chloro-4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]thiadiazole (PubChem CID 62408977) has the molecular formula C8H9ClN4S2 and a molecular weight of 260.78 g/mol. Its IUPAC name is 5-chloro-4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]thiadiazole
PubChem CID62408977
Molecular FormulaC8H9ClN4S2
Molecular Weight260.78 g/mol
Exact Mass260.00
IUPAC Name5-chloro-4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]thiadiazole
SMILESCc1cc(SCc2nnsc2Cl)n(C)n1
InChIInChI=1S/C8H9ClN4S2/c1-5-3-7(13(2)11-5)14-4-6-8(9)15-12-10-6/h3H,4H2,1-2H3
InChIKeyBMKAFOAWAVLYLS-UHFFFAOYSA-N
XLogP2.53
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.78
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-6-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 62885838
3-chloro-2-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]aniline
CID 55242255
2-amino-4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]phenol
CID 62408210
3-chloro-4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]benzonitrile
CID 102668396
2-(2,5-dimethylpyrazol-3-yl)sulfanylacetic acid
CID 62409331
5-[2-(chloromethyl)prop-2-enylsulfanyl]-1,3-dimethylpyrazole
CID 103066291
3-chloro-4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide
CID 102668481
5-[(3-bromophenyl)methylsulfanyl]-1,3-dimethylpyrazole
CID 62402351
4-chloro-N-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]aniline
CID 55092551
3-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxypropanimidamide
CID 76943340
methyl 2-[2-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]phenyl]acetate
CID 115460948
3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]thiophene-2-carboxylic acid
CID 63639006

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]thiadiazole (CID 62408977) is 5-chloro-4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]thiadiazole is Cc1cc(SCc2nnsc2Cl)n(C)n1.
What is the InChIKey of 5-chloro-4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]thiadiazole?
The InChIKey is BMKAFOAWAVLYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4S2/c1-5-3-7(13(2)11-5)14-4-6-8(9)15-12-10-6/h3H,4H2,1-2H3.
What are the key properties of 5-chloro-4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]thiadiazole?
5-chloro-4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]thiadiazole has a molecular weight of 260.78 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]thiadiazole is sourced from PubChem (CID 62408977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).