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

C14H15ClN2O2S2 — CID 43620082

IUPAC2-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1Cc1ccccc1-c1nc(CCl)cs1
InChIInChI=1S/C14H15ClN2O2S2/c15-8-12-10-20-14(16-12)13-5-2-1-4-11(13)9-17-6-3-7-21(17,18)19/h1-2,4-5,10H,3,6-9H2
InChIKeyTUXSDLYKKSIYAV-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.08
Rot. Bonds4

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

2-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 43620082) has the molecular formula C14H15ClN2O2S2 and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID43620082
Molecular FormulaC14H15ClN2O2S2
Molecular Weight342.87 g/mol
Exact Mass342.03
IUPAC Name2-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1Cc1ccccc1-c1nc(CCl)cs1
InChIInChI=1S/C14H15ClN2O2S2/c15-8-12-10-20-14(16-12)13-5-2-1-4-11(13)9-17-6-3-7-21(17,18)19/h1-2,4-5,10H,3,6-9H2
InChIKeyTUXSDLYKKSIYAV-UHFFFAOYSA-N
XLogP3.08
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 43620084
4-(chloromethyl)-2-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole
CID 43138436
4-(chloromethyl)-2-[2-[(2-methylpiperidin-1-yl)methyl]phenyl]-1,3-thiazole
CID 43138294
2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-(chloromethyl)-1,3-thiazole
CID 61034902
4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664522
N-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-methylethanamine
CID 43263635
2-[2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 39159599
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55449882
2-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoyl chloride
CID 154260992
2-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]aniline
CID 131961220
4-(chloromethyl)-2-[2-(furan-2-ylmethoxymethyl)phenyl]-1,3-thiazole
CID 43320209
4-(chloromethyl)-2-[2-(pentoxymethyl)phenyl]-1,3-thiazole
CID 43275214

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide (CID 43620082) is 2-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1Cc1ccccc1-c1nc(CCl)cs1.
What is the InChIKey of 2-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is TUXSDLYKKSIYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S2/c15-8-12-10-20-14(16-12)13-5-2-1-4-11(13)9-17-6-3-7-21(17,18)19/h1-2,4-5,10H,3,6-9H2.
What are the key properties of 2-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide?
2-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 342.87 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 43620082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).