3-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C16H24N4O2S — CID 71999987

IUPAC3-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCCc1ncc(CN(C)CCN2C(=O)NC3(CCCC3)C2=O)s1
InChIInChI=1S/C16H24N4O2S/c1-3-13-17-10-12(23-13)11-19(2)8-9-20-14(21)16(18-15(20)22)6-4-5-7-16/h10H,3-9,11H2,1-2H3,(H,18,22)
InChIKeyZTHRSDVBIHAOBD-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.00
Rot. Bonds6

About 3-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 71999987) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 3-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID71999987
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name3-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCCc1ncc(CN(C)CCN2C(=O)NC3(CCCC3)C2=O)s1
InChIInChI=1S/C16H24N4O2S/c1-3-13-17-10-12(23-13)11-19(2)8-9-20-14(21)16(18-15(20)22)6-4-5-7-16/h10H,3-9,11H2,1-2H3,(H,18,22)
InChIKeyZTHRSDVBIHAOBD-UHFFFAOYSA-N
XLogP2.00
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.00
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 3-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 71999987) is 3-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is CCc1ncc(CN(C)CCN2C(=O)NC3(CCCC3)C2=O)s1.
What is the InChIKey of 3-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is ZTHRSDVBIHAOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-3-13-17-10-12(23-13)11-19(2)8-9-20-14(21)16(18-15(20)22)6-4-5-7-16/h10H,3-9,11H2,1-2H3,(H,18,22).
What are the key properties of 3-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 336.46 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 71999987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).