5,5-dicyclopropyl-3-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]imidazolidine-2,4-dione

C17H24N4O2S — CID 56822837

IUPAC5,5-dicyclopropyl-3-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]imidazolidine-2,4-dione
SMILESCCc1nc(CN(C)CN2C(=O)NC(C3CC3)(C3CC3)C2=O)cs1
InChIInChI=1S/C17H24N4O2S/c1-3-14-18-13(9-24-14)8-20(2)10-21-15(22)17(11-4-5-11,12-6-7-12)19-16(21)23/h9,11-12H,3-8,10H2,1-2H3,(H,19,23)
InChIKeyBRTRKVQEGXJSBH-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.21
Rot. Bonds7

About 5,5-dicyclopropyl-3-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]imidazolidine-2,4-dione

5,5-dicyclopropyl-3-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]imidazolidine-2,4-dione (PubChem CID 56822837) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 5,5-dicyclopropyl-3-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dicyclopropyl-3-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]imidazolidine-2,4-dione
PubChem CID56822837
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name5,5-dicyclopropyl-3-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]imidazolidine-2,4-dione
SMILESCCc1nc(CN(C)CN2C(=O)NC(C3CC3)(C3CC3)C2=O)cs1
InChIInChI=1S/C17H24N4O2S/c1-3-14-18-13(9-24-14)8-20(2)10-21-15(22)17(11-4-5-11,12-6-7-12)19-16(21)23/h9,11-12H,3-8,10H2,1-2H3,(H,19,23)
InChIKeyBRTRKVQEGXJSBH-UHFFFAOYSA-N
XLogP2.21
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dicyclopropyl-3-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dicyclopropyl-3-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]imidazolidine-2,4-dione (CID 56822837) is 5,5-dicyclopropyl-3-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dicyclopropyl-3-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dicyclopropyl-3-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]imidazolidine-2,4-dione is CCc1nc(CN(C)CN2C(=O)NC(C3CC3)(C3CC3)C2=O)cs1.
What is the InChIKey of 5,5-dicyclopropyl-3-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]imidazolidine-2,4-dione?
The InChIKey is BRTRKVQEGXJSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-3-14-18-13(9-24-14)8-20(2)10-21-15(22)17(11-4-5-11,12-6-7-12)19-16(21)23/h9,11-12H,3-8,10H2,1-2H3,(H,19,23).
What are the key properties of 5,5-dicyclopropyl-3-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]imidazolidine-2,4-dione?
5,5-dicyclopropyl-3-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]imidazolidine-2,4-dione has a molecular weight of 348.47 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dicyclopropyl-3-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 56822837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).