2-(3,5-dimethylpyrazol-1-yl)-4-[2-(dimethylsulfamoylamino)ethyl]-1,3-thiazole

C12H19N5O2S2 — CID 71802127

IUPAC2-(3,5-dimethylpyrazol-1-yl)-4-[2-(dimethylsulfamoylamino)ethyl]-1,3-thiazole
SMILESCc1cc(C)n(-c2nc(CCNS(=O)(=O)N(C)C)cs2)n1
InChIInChI=1S/C12H19N5O2S2/c1-9-7-10(2)17(15-9)12-14-11(8-20-12)5-6-13-21(18,19)16(3)4/h7-8,13H,5-6H2,1-4H3
InChIKeyQYQYKQWKWLALNR-UHFFFAOYSA-N
MW329.45 g/mol
LogP0.88
Rot. Bonds6

About 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(dimethylsulfamoylamino)ethyl]-1,3-thiazole

2-(3,5-dimethylpyrazol-1-yl)-4-[2-(dimethylsulfamoylamino)ethyl]-1,3-thiazole (PubChem CID 71802127) has the molecular formula C12H19N5O2S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(dimethylsulfamoylamino)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-4-[2-(dimethylsulfamoylamino)ethyl]-1,3-thiazole
PubChem CID71802127
Molecular FormulaC12H19N5O2S2
Molecular Weight329.45 g/mol
Exact Mass329.10
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-4-[2-(dimethylsulfamoylamino)ethyl]-1,3-thiazole
SMILESCc1cc(C)n(-c2nc(CCNS(=O)(=O)N(C)C)cs2)n1
InChIInChI=1S/C12H19N5O2S2/c1-9-7-10(2)17(15-9)12-14-11(8-20-12)5-6-13-21(18,19)16(3)4/h7-8,13H,5-6H2,1-4H3
InChIKeyQYQYKQWKWLALNR-UHFFFAOYSA-N
XLogP0.88
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(dimethylsulfamoylamino)ethyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(dimethylsulfamoylamino)ethyl]-1,3-thiazole?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(dimethylsulfamoylamino)ethyl]-1,3-thiazole (CID 71802127) is 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(dimethylsulfamoylamino)ethyl]-1,3-thiazole.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(dimethylsulfamoylamino)ethyl]-1,3-thiazole?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(dimethylsulfamoylamino)ethyl]-1,3-thiazole is Cc1cc(C)n(-c2nc(CCNS(=O)(=O)N(C)C)cs2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(dimethylsulfamoylamino)ethyl]-1,3-thiazole?
The InChIKey is QYQYKQWKWLALNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S2/c1-9-7-10(2)17(15-9)12-14-11(8-20-12)5-6-13-21(18,19)16(3)4/h7-8,13H,5-6H2,1-4H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(dimethylsulfamoylamino)ethyl]-1,3-thiazole?
2-(3,5-dimethylpyrazol-1-yl)-4-[2-(dimethylsulfamoylamino)ethyl]-1,3-thiazole has a molecular weight of 329.45 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(dimethylsulfamoylamino)ethyl]-1,3-thiazole is sourced from PubChem (CID 71802127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).