2-[(2-chloro-1,3-thiazol-5-yl)methyl]thiazetidine 1,1-dioxide

C6H7ClN2O2S2 — CID 131123308

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)methyl]thiazetidine 1,1-dioxide
SMILESO=S1(=O)CCN1Cc1cnc(Cl)s1
InChIInChI=1S/C6H7ClN2O2S2/c7-6-8-3-5(12-6)4-9-1-2-13(9,10)11/h3H,1-2,4H2
InChIKeyQBUKCXSBADJDID-UHFFFAOYSA-N
MW238.72 g/mol
LogP0.94
Rot. Bonds2

About 2-[(2-chloro-1,3-thiazol-5-yl)methyl]thiazetidine 1,1-dioxide

2-[(2-chloro-1,3-thiazol-5-yl)methyl]thiazetidine 1,1-dioxide (PubChem CID 131123308) has the molecular formula C6H7ClN2O2S2 and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)methyl]thiazetidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)methyl]thiazetidine 1,1-dioxide
PubChem CID131123308
Molecular FormulaC6H7ClN2O2S2
Molecular Weight238.72 g/mol
Exact Mass237.96
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)methyl]thiazetidine 1,1-dioxide
SMILESO=S1(=O)CCN1Cc1cnc(Cl)s1
InChIInChI=1S/C6H7ClN2O2S2/c7-6-8-3-5(12-6)4-9-1-2-13(9,10)11/h3H,1-2,4H2
InChIKeyQBUKCXSBADJDID-UHFFFAOYSA-N
XLogP0.94
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2-chloro-1,3-thiazol-5-yl)methyl]thiazetidine 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

1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidine-2,5-dione
CID 79764600
2-[(5-chlorothiophen-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide
CID 60523011
1-[(2-chloro-1,3-thiazol-5-yl)methyl]azepane-2,7-dione
CID 79765235
2-chloro-5-(diazinan-1-ylmethyl)-1,3-thiazole
CID 130856912
3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 79765365
2-chloro-5-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 79765484
2-[(2-chloro-1,3-thiazol-5-yl)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 75392442
2-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513494
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-propan-2-ylazepan-2-one
CID 79764356
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-2-one
CID 104680079
2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 79764598
4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dimethylthiomorpholine
CID 115681803

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methyl]thiazetidine 1,1-dioxide?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methyl]thiazetidine 1,1-dioxide (CID 131123308) is 2-[(2-chloro-1,3-thiazol-5-yl)methyl]thiazetidine 1,1-dioxide.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)methyl]thiazetidine 1,1-dioxide?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)methyl]thiazetidine 1,1-dioxide is O=S1(=O)CCN1Cc1cnc(Cl)s1.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)methyl]thiazetidine 1,1-dioxide?
The InChIKey is QBUKCXSBADJDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2S2/c7-6-8-3-5(12-6)4-9-1-2-13(9,10)11/h3H,1-2,4H2.
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)methyl]thiazetidine 1,1-dioxide?
2-[(2-chloro-1,3-thiazol-5-yl)methyl]thiazetidine 1,1-dioxide has a molecular weight of 238.72 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-thiazol-5-yl)methyl]thiazetidine 1,1-dioxide is sourced from PubChem (CID 131123308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).