3-(4-chloro-3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide

C10H8ClN3O2S2 — CID 3087137

IUPAC3-(4-chloro-3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide
SMILESCc1nn(C2=NS(=O)(=O)c3ccsc32)c(C)c1Cl
InChIInChI=1S/C10H8ClN3O2S2/c1-5-8(11)6(2)14(12-5)10-9-7(3-4-17-9)18(15,16)13-10/h3-4H,1-2H3
InChIKeyKHDGZJRDGAXZEU-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.21
Rot. Bonds

About 3-(4-chloro-3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide

3-(4-chloro-3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide (PubChem CID 3087137) has the molecular formula C10H8ClN3O2S2 and a molecular weight of 301.78 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide.

Molecular Properties

Compound Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide
PubChem CID3087137
Molecular FormulaC10H8ClN3O2S2
Molecular Weight301.78 g/mol
Exact Mass300.97
IUPAC Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide
SMILESCc1nn(C2=NS(=O)(=O)c3ccsc32)c(C)c1Cl
InChIInChI=1S/C10H8ClN3O2S2/c1-5-8(11)6(2)14(12-5)10-9-7(3-4-17-9)18(15,16)13-10/h3-4H,1-2H3
InChIKeyKHDGZJRDGAXZEU-UHFFFAOYSA-N
XLogP2.21
TPSA64.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide?
The IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide (CID 3087137) is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide.
What is the SMILES notation for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide?
The canonical SMILES for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide is Cc1nn(C2=NS(=O)(=O)c3ccsc32)c(C)c1Cl.
What is the InChIKey of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide?
The InChIKey is KHDGZJRDGAXZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2S2/c1-5-8(11)6(2)14(12-5)10-9-7(3-4-17-9)18(15,16)13-10/h3-4H,1-2H3.
What are the key properties of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide?
3-(4-chloro-3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide has a molecular weight of 301.78 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide is sourced from PubChem (CID 3087137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).