3-chloro-7-methylpyrazolo[5,1-b][1,3]thiazole

C6H5ClN2S — CID 57230933

IUPAC3-chloro-7-methylpyrazolo[5,1-b][1,3]thiazole
SMILESCc1cnn2c(Cl)csc12
InChIInChI=1S/C6H5ClN2S/c1-4-2-8-9-5(7)3-10-6(4)9/h2-3H,1H3
InChIKeyZJVYFMZAYSQHJW-UHFFFAOYSA-N
MW172.64 g/mol
LogP2.36
Rot. Bonds

About 3-chloro-7-methylpyrazolo[5,1-b][1,3]thiazole

3-chloro-7-methylpyrazolo[5,1-b][1,3]thiazole (PubChem CID 57230933) has the molecular formula C6H5ClN2S and a molecular weight of 172.64 g/mol. Its IUPAC name is 3-chloro-7-methylpyrazolo[5,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-chloro-7-methylpyrazolo[5,1-b][1,3]thiazole
PubChem CID57230933
Molecular FormulaC6H5ClN2S
Molecular Weight172.64 g/mol
Exact Mass171.99
IUPAC Name3-chloro-7-methylpyrazolo[5,1-b][1,3]thiazole
SMILESCc1cnn2c(Cl)csc12
InChIInChI=1S/C6H5ClN2S/c1-4-2-8-9-5(7)3-10-6(4)9/h2-3H,1H3
InChIKeyZJVYFMZAYSQHJW-UHFFFAOYSA-N
XLogP2.36
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.64
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-methylpyrazolo[5,1-b][1,3]thiazole?
The IUPAC name of 3-chloro-7-methylpyrazolo[5,1-b][1,3]thiazole (CID 57230933) is 3-chloro-7-methylpyrazolo[5,1-b][1,3]thiazole.
What is the SMILES notation for 3-chloro-7-methylpyrazolo[5,1-b][1,3]thiazole?
The canonical SMILES for 3-chloro-7-methylpyrazolo[5,1-b][1,3]thiazole is Cc1cnn2c(Cl)csc12.
What is the InChIKey of 3-chloro-7-methylpyrazolo[5,1-b][1,3]thiazole?
The InChIKey is ZJVYFMZAYSQHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2S/c1-4-2-8-9-5(7)3-10-6(4)9/h2-3H,1H3.
What are the key properties of 3-chloro-7-methylpyrazolo[5,1-b][1,3]thiazole?
3-chloro-7-methylpyrazolo[5,1-b][1,3]thiazole has a molecular weight of 172.64 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-methylpyrazolo[5,1-b][1,3]thiazole is sourced from PubChem (CID 57230933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).