3-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-1-methylimidazolidine-2,4-dione

C10H12ClN3O2S — CID 43138467

IUPAC3-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CCc2nc(CCl)cs2)C1=O
InChIInChI=1S/C10H12ClN3O2S/c1-13-5-9(15)14(10(13)16)3-2-8-12-7(4-11)6-17-8/h6H,2-5H2,1H3
InChIKeyBSRSUFIWVHRSAF-UHFFFAOYSA-N
MW273.75 g/mol
LogP1.32
Rot. Bonds4

About 3-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-1-methylimidazolidine-2,4-dione

3-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-1-methylimidazolidine-2,4-dione (PubChem CID 43138467) has the molecular formula C10H12ClN3O2S and a molecular weight of 273.75 g/mol. Its IUPAC name is 3-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-1-methylimidazolidine-2,4-dione
PubChem CID43138467
Molecular FormulaC10H12ClN3O2S
Molecular Weight273.75 g/mol
Exact Mass273.03
IUPAC Name3-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CCc2nc(CCl)cs2)C1=O
InChIInChI=1S/C10H12ClN3O2S/c1-13-5-9(15)14(10(13)16)3-2-8-12-7(4-11)6-17-8/h6H,2-5H2,1H3
InChIKeyBSRSUFIWVHRSAF-UHFFFAOYSA-N
XLogP1.32
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.75
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]azepan-2-one
CID 43138414
3-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 43320527
3-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-5-propylimidazolidine-2,4-dione
CID 43320524
2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-(chloromethyl)-1,3-thiazole
CID 55038801
4-(chloromethyl)-2-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1,3-thiazole
CID 62206798
1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512303
3-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-1-methylpyrimidine-2,4-dione
CID 63801214
1-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]butyl]-4-methylpiperazine-2,3-dione
CID 62928945
4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-1,4-diazepan-2-one
CID 65366352
4-(chloromethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]-1,3-thiazole
CID 63777501
4-(chloromethyl)-2-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]-1,3-thiazole
CID 63153110
2-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-(chloromethyl)-1,3-thiazole
CID 61433252

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-1-methylimidazolidine-2,4-dione (CID 43138467) is 3-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(CCc2nc(CCl)cs2)C1=O.
What is the InChIKey of 3-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is BSRSUFIWVHRSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2S/c1-13-5-9(15)14(10(13)16)3-2-8-12-7(4-11)6-17-8/h6H,2-5H2,1H3.
What are the key properties of 3-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-1-methylimidazolidine-2,4-dione?
3-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 273.75 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 43138467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).