5-[3-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

C18H23N5O3S — CID 46956112

IUPAC5-[3-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCc1csc2c(C3CCN(C(=O)CCC4NC(=O)NC4=O)CC3)nc(C)n12
InChIInChI=1S/C18H23N5O3S/c1-10-9-27-17-15(19-11(2)23(10)17)12-5-7-22(8-6-12)14(24)4-3-13-16(25)21-18(26)20-13/h9,12-13H,3-8H2,1-2H3,(H2,20,21,25,26)
InChIKeySNDDHOAMKKGTDF-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.71
Rot. Bonds4

About 5-[3-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

5-[3-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 46956112) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 5-[3-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID46956112
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name5-[3-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCc1csc2c(C3CCN(C(=O)CCC4NC(=O)NC4=O)CC3)nc(C)n12
InChIInChI=1S/C18H23N5O3S/c1-10-9-27-17-15(19-11(2)23(10)17)12-5-7-22(8-6-12)14(24)4-3-13-16(25)21-18(26)20-13/h9,12-13H,3-8H2,1-2H3,(H2,20,21,25,26)
InChIKeySNDDHOAMKKGTDF-UHFFFAOYSA-N
XLogP1.71
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 46956112) is 5-[3-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is Cc1csc2c(C3CCN(C(=O)CCC4NC(=O)NC4=O)CC3)nc(C)n12.
What is the InChIKey of 5-[3-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is SNDDHOAMKKGTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-10-9-27-17-15(19-11(2)23(10)17)12-5-7-22(8-6-12)14(24)4-3-13-16(25)21-18(26)20-13/h9,12-13H,3-8H2,1-2H3,(H2,20,21,25,26).
What are the key properties of 5-[3-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
5-[3-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 389.48 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46956112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).