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

C14H19N3O3S — CID 106383693

IUPAC11-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione
SMILESO=C1CCN(Cc2csc(=O)[nH]2)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C14H19N3O3S/c18-11-4-7-17(8-10-9-21-13(20)15-10)12(19)14(16-11)5-2-1-3-6-14/h9H,1-8H2,(H,15,20)(H,16,18)
InChIKeyBXSVXFYXMFCPFA-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.99
Rot. Bonds2

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

11-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione (PubChem CID 106383693) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 11-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione.

Molecular Properties

Compound Name11-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione
PubChem CID106383693
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name11-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione
SMILESO=C1CCN(Cc2csc(=O)[nH]2)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C14H19N3O3S/c18-11-4-7-17(8-10-9-21-13(20)15-10)12(19)14(16-11)5-2-1-3-6-14/h9H,1-8H2,(H,15,20)(H,16,18)
InChIKeyBXSVXFYXMFCPFA-UHFFFAOYSA-N
XLogP0.99
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]cyclohexane-1-carboxamide
CID 55983080
N-butyl-1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]cyclohexane-1-carboxamide
CID 56380017
11-(2-Methylsulfanylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64971605
4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
CID 104694631
2-(1-aminocyclopentyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 106381164
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
CID 106381193
2-[1-(methylamino)cyclohexyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 106381285
1-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
CID 106381359
4-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 106383672
3-butan-2-yl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-dione
CID 106383673
3,3-diethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-dione
CID 106383683
10-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 106383691

Frequently Asked Questions

What is the IUPAC name of 11-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione?
The IUPAC name of 11-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione (CID 106383693) is 11-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione.
What is the SMILES notation for 11-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione?
The canonical SMILES for 11-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione is O=C1CCN(Cc2csc(=O)[nH]2)C(=O)C2(CCCCC2)N1.
What is the InChIKey of 11-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione?
The InChIKey is BXSVXFYXMFCPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c18-11-4-7-17(8-10-9-21-13(20)15-10)12(19)14(16-11)5-2-1-3-6-14/h9H,1-8H2,(H,15,20)(H,16,18).
What are the key properties of 11-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione?
11-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione has a molecular weight of 309.39 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione is sourced from PubChem (CID 106383693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).