11-[(4-methyl-1,3-thiazol-2-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione

C15H21N3O2S — CID 64966399

IUPAC11-[(4-methyl-1,3-thiazol-2-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione
SMILESCc1csc(CN2CCC(=O)NC3(CCCCC3)C2=O)n1
InChIInChI=1S/C15H21N3O2S/c1-11-10-21-13(16-11)9-18-8-5-12(19)17-15(14(18)20)6-3-2-4-7-15/h10H,2-9H2,1H3,(H,17,19)
InChIKeyZMPMBCBXCNWOFD-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.00
Rot. Bonds2

About 11-[(4-methyl-1,3-thiazol-2-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione

11-[(4-methyl-1,3-thiazol-2-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione (PubChem CID 64966399) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 11-[(4-methyl-1,3-thiazol-2-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione.

Molecular Properties

Compound Name11-[(4-methyl-1,3-thiazol-2-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione
PubChem CID64966399
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name11-[(4-methyl-1,3-thiazol-2-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione
SMILESCc1csc(CN2CCC(=O)NC3(CCCCC3)C2=O)n1
InChIInChI=1S/C15H21N3O2S/c1-11-10-21-13(16-11)9-18-8-5-12(19)17-15(14(18)20)6-3-2-4-7-15/h10H,2-9H2,1H3,(H,17,19)
InChIKeyZMPMBCBXCNWOFD-UHFFFAOYSA-N
XLogP2.00
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 11-[(4-methyl-1,3-thiazol-2-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione with MolForge

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Related Compounds

11-(1,3-thiazol-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64965803
10-(1,3-thiazol-2-ylmethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64965758
10-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 106045858
10-[(3-methyl-1,2-oxazol-5-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64968278
11-[(5-methyl-1,2-oxazol-3-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64967825
10-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 106377160
11-propyl-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64883747
10-[(5-ethylthiophen-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64882245
10-[(5-bromo-2-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 104812836
11-pent-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 116645589
10-(2-thiophen-3-ylethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64882632
11-(2-pyrazol-1-ylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64882771

Frequently Asked Questions

What is the IUPAC name of 11-[(4-methyl-1,3-thiazol-2-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione?
The IUPAC name of 11-[(4-methyl-1,3-thiazol-2-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione (CID 64966399) is 11-[(4-methyl-1,3-thiazol-2-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione.
What is the SMILES notation for 11-[(4-methyl-1,3-thiazol-2-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione?
The canonical SMILES for 11-[(4-methyl-1,3-thiazol-2-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione is Cc1csc(CN2CCC(=O)NC3(CCCCC3)C2=O)n1.
What is the InChIKey of 11-[(4-methyl-1,3-thiazol-2-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione?
The InChIKey is ZMPMBCBXCNWOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-11-10-21-13(16-11)9-18-8-5-12(19)17-15(14(18)20)6-3-2-4-7-15/h10H,2-9H2,1H3,(H,17,19).
What are the key properties of 11-[(4-methyl-1,3-thiazol-2-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione?
11-[(4-methyl-1,3-thiazol-2-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione has a molecular weight of 307.42 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(4-methyl-1,3-thiazol-2-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione is sourced from PubChem (CID 64966399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).