3-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide

C12H16N4O2S2 — CID 136569769

IUPAC3-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide
SMILESCC1CCS(=O)(=O)N1Cc1csc(-c2cnn(C)c2)n1
InChIInChI=1S/C12H16N4O2S2/c1-9-3-4-20(17,18)16(9)7-11-8-19-12(14-11)10-5-13-15(2)6-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyYZMSAODKUBMGLE-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.47
Rot. Bonds3

About 3-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide

3-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 136569769) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID136569769
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name3-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide
SMILESCC1CCS(=O)(=O)N1Cc1csc(-c2cnn(C)c2)n1
InChIInChI=1S/C12H16N4O2S2/c1-9-3-4-20(17,18)16(9)7-11-8-19-12(14-11)10-5-13-15(2)6-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyYZMSAODKUBMGLE-UHFFFAOYSA-N
XLogP1.47
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide with MolForge

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

Launch Full Analysis

Related Compounds

4-ethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 115662825
2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-ol
CID 130501332
(2S)-1-[(2R)-2-methyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol
CID 124730795
4-[[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 95348101
2-(1-methylpyrazol-4-yl)-4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 56780516
(5S)-5-(methoxymethyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 95166165
2-(1-methylpyrazol-4-yl)-4-(phenoxymethyl)-1,3-thiazole
CID 47287665
2-(1-methylpyrazol-4-yl)-4-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95291824
N-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 78887275
4-butan-2-yl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 112697822
[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 78903023
4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 95322878

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 3-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide (CID 136569769) is 3-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 3-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 3-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide is CC1CCS(=O)(=O)N1Cc1csc(-c2cnn(C)c2)n1.
What is the InChIKey of 3-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is YZMSAODKUBMGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-9-3-4-20(17,18)16(9)7-11-8-19-12(14-11)10-5-13-15(2)6-10/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 3-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide?
3-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 312.42 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 136569769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).