5-(3-methylbutyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione

C17H26N4O2S — CID 56721219

IUPAC5-(3-methylbutyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione
SMILESCC(C)CCC1(C2CCNCC2)NC(=O)N(Cc2cncs2)C1=O
InChIInChI=1S/C17H26N4O2S/c1-12(2)3-6-17(13-4-7-18-8-5-13)15(22)21(16(23)20-17)10-14-9-19-11-24-14/h9,11-13,18H,3-8,10H2,1-2H3,(H,20,23)
InChIKeyNLOFXDHGLCCWKX-UHFFFAOYSA-N
MW350.49 g/mol
LogP2.37
Rot. Bonds6

About 5-(3-methylbutyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione

5-(3-methylbutyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione (PubChem CID 56721219) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 5-(3-methylbutyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-methylbutyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione
PubChem CID56721219
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name5-(3-methylbutyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione
SMILESCC(C)CCC1(C2CCNCC2)NC(=O)N(Cc2cncs2)C1=O
InChIInChI=1S/C17H26N4O2S/c1-12(2)3-6-17(13-4-7-18-8-5-13)15(22)21(16(23)20-17)10-14-9-19-11-24-14/h9,11-13,18H,3-8,10H2,1-2H3,(H,20,23)
InChIKeyNLOFXDHGLCCWKX-UHFFFAOYSA-N
XLogP2.37
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 52.37
H-Bond Donors ≤ 52
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-(3-methylbutyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(3-methylbutyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione (CID 56721219) is 5-(3-methylbutyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(3-methylbutyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(3-methylbutyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione is CC(C)CCC1(C2CCNCC2)NC(=O)N(Cc2cncs2)C1=O.
What is the InChIKey of 5-(3-methylbutyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is NLOFXDHGLCCWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-12(2)3-6-17(13-4-7-18-8-5-13)15(22)21(16(23)20-17)10-14-9-19-11-24-14/h9,11-13,18H,3-8,10H2,1-2H3,(H,20,23).
What are the key properties of 5-(3-methylbutyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione?
5-(3-methylbutyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 350.49 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 56721219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).