8-methyl-9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione

C14H19N3O2S — CID 64965905

IUPAC8-methyl-9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCc1ncc(CN2C(=O)C3(CCCC3)NC(=O)C2C)s1
InChIInChI=1S/C14H19N3O2S/c1-9-12(18)16-14(5-3-4-6-14)13(19)17(9)8-11-7-15-10(2)20-11/h7,9H,3-6,8H2,1-2H3,(H,16,18)
InChIKeyGYDUYWSJPZDZCL-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.61
Rot. Bonds2

About 8-methyl-9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione

8-methyl-9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64965905) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 8-methyl-9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name8-methyl-9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64965905
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name8-methyl-9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCc1ncc(CN2C(=O)C3(CCCC3)NC(=O)C2C)s1
InChIInChI=1S/C14H19N3O2S/c1-9-12(18)16-14(5-3-4-6-14)13(19)17(9)8-11-7-15-10(2)20-11/h7,9H,3-6,8H2,1-2H3,(H,16,18)
InChIKeyGYDUYWSJPZDZCL-UHFFFAOYSA-N
XLogP1.61
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 8-methyl-9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64965905) is 8-methyl-9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 8-methyl-9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 8-methyl-9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione is Cc1ncc(CN2C(=O)C3(CCCC3)NC(=O)C2C)s1.
What is the InChIKey of 8-methyl-9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is GYDUYWSJPZDZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-9-12(18)16-14(5-3-4-6-14)13(19)17(9)8-11-7-15-10(2)20-11/h7,9H,3-6,8H2,1-2H3,(H,16,18).
What are the key properties of 8-methyl-9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
8-methyl-9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 293.39 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64965905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).