10-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione

C15H21N3O2S — CID 106045858

IUPAC10-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESCc1nc(CCN2CCC(=O)NC3(CCCC3)C2=O)cs1
InChIInChI=1S/C15H21N3O2S/c1-11-16-12(10-21-11)4-8-18-9-5-13(19)17-15(14(18)20)6-2-3-7-15/h10H,2-9H2,1H3,(H,17,19)
InChIKeyDWTFKUGRUPOTEW-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.66
Rot. Bonds3

About 10-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione

10-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione (PubChem CID 106045858) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 10-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione.

Molecular Properties

Compound Name10-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
PubChem CID106045858
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name10-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESCc1nc(CCN2CCC(=O)NC3(CCCC3)C2=O)cs1
InChIInChI=1S/C15H21N3O2S/c1-11-16-12(10-21-11)4-8-18-9-5-13(19)17-15(14(18)20)6-2-3-7-15/h10H,2-9H2,1H3,(H,17,19)
InChIKeyDWTFKUGRUPOTEW-UHFFFAOYSA-N
XLogP1.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione?
The IUPAC name of 10-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione (CID 106045858) is 10-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione.
What is the SMILES notation for 10-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione?
The canonical SMILES for 10-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione is Cc1nc(CCN2CCC(=O)NC3(CCCC3)C2=O)cs1.
What is the InChIKey of 10-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione?
The InChIKey is DWTFKUGRUPOTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-11-16-12(10-21-11)4-8-18-9-5-13(19)17-15(14(18)20)6-2-3-7-15/h10H,2-9H2,1H3,(H,17,19).
What are the key properties of 10-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione?
10-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione has a molecular weight of 307.42 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione is sourced from PubChem (CID 106045858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).