3-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione

C11H14ClN3O2S — CID 43320529

IUPAC3-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(Cc2nc(CCl)cs2)C1=O
InChIInChI=1S/C11H14ClN3O2S/c1-3-11(2)9(16)15(10(17)14-11)5-8-13-7(4-12)6-18-8/h6H,3-5H2,1-2H3,(H,14,17)
InChIKeyBGRVLPLVVDIMOJ-UHFFFAOYSA-N
MW287.77 g/mol
LogP2.10
Rot. Bonds4

About 3-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione

3-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 43320529) has the molecular formula C11H14ClN3O2S and a molecular weight of 287.77 g/mol. Its IUPAC name is 3-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID43320529
Molecular FormulaC11H14ClN3O2S
Molecular Weight287.77 g/mol
Exact Mass287.05
IUPAC Name3-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(Cc2nc(CCl)cs2)C1=O
InChIInChI=1S/C11H14ClN3O2S/c1-3-11(2)9(16)15(10(17)14-11)5-8-13-7(4-12)6-18-8/h6H,3-5H2,1-2H3,(H,14,17)
InChIKeyBGRVLPLVVDIMOJ-UHFFFAOYSA-N
XLogP2.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 52.10
H-Bond Donors ≤ 51
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

3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 62209030
3-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 43320527
4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3,3-dimethylpiperazin-2-one
CID 63606160
5-(methoxymethyl)-5-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 146084367
3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 55733734
3-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 64765381
5-ethyl-3-[[5-(ethylamino)pyrazin-2-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 103057107
(5R)-3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 52617959
3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 18070377
5-ethyl-3-[[6-(ethylamino)-3-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione
CID 62207321
N-ethyl-N-[4-[[(4S)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 94866227
3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 16624139

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione (CID 43320529) is 3-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione is CCC1(C)NC(=O)N(Cc2nc(CCl)cs2)C1=O.
What is the InChIKey of 3-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is BGRVLPLVVDIMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2S/c1-3-11(2)9(16)15(10(17)14-11)5-8-13-7(4-12)6-18-8/h6H,3-5H2,1-2H3,(H,14,17).
What are the key properties of 3-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
3-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 287.77 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 43320529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).