(5R)-5-butyl-3-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidine-2,4-dione

C11H14ClN3O2S — CID 97074938

IUPAC(5R)-5-butyl-3-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESCCCC[C@H]1NC(=O)N(Cc2cnc(Cl)s2)C1=O
InChIInChI=1S/C11H14ClN3O2S/c1-2-3-4-8-9(16)15(11(17)14-8)6-7-5-13-10(12)18-7/h5,8H,2-4,6H2,1H3,(H,14,17)/t8-/m1/s1
InChIKeyJNPMSHUNHPTXHM-MRVPVSSYSA-N
MW287.77 g/mol
LogP2.41
Rot. Bonds5

About (5R)-5-butyl-3-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidine-2,4-dione

(5R)-5-butyl-3-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidine-2,4-dione (PubChem CID 97074938) has the molecular formula C11H14ClN3O2S and a molecular weight of 287.77 g/mol. Its IUPAC name is (5R)-5-butyl-3-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-butyl-3-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidine-2,4-dione
PubChem CID97074938
Molecular FormulaC11H14ClN3O2S
Molecular Weight287.77 g/mol
Exact Mass287.05
IUPAC Name(5R)-5-butyl-3-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESCCCC[C@H]1NC(=O)N(Cc2cnc(Cl)s2)C1=O
InChIInChI=1S/C11H14ClN3O2S/c1-2-3-4-8-9(16)15(11(17)14-8)6-7-5-13-10(12)18-7/h5,8H,2-4,6H2,1H3,(H,14,17)/t8-/m1/s1
InChIKeyJNPMSHUNHPTXHM-MRVPVSSYSA-N
XLogP2.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-butyl-3-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-butyl-3-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidine-2,4-dione (CID 97074938) is (5R)-5-butyl-3-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-butyl-3-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-butyl-3-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidine-2,4-dione is CCCC[C@H]1NC(=O)N(Cc2cnc(Cl)s2)C1=O.
What is the InChIKey of (5R)-5-butyl-3-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is JNPMSHUNHPTXHM-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14ClN3O2S/c1-2-3-4-8-9(16)15(11(17)14-8)6-7-5-13-10(12)18-7/h5,8H,2-4,6H2,1H3,(H,14,17)/t8-/m1/s1.
What are the key properties of (5R)-5-butyl-3-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-butyl-3-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 287.77 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-butyl-3-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 97074938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).