10-(2-methyl-1,3-thiazole-4-carbonyl)-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid

C15H21N3O4S — CID 67292513

IUPAC10-(2-methyl-1,3-thiazole-4-carbonyl)-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid
SMILESCc1nc(C(=O)N2CCOC3(CCN(C(=O)O)CC3)CC2)cs1
InChIInChI=1S/C15H21N3O4S/c1-11-16-12(10-23-11)13(19)17-5-2-15(22-9-8-17)3-6-18(7-4-15)14(20)21/h10H,2-9H2,1H3,(H,20,21)
InChIKeyFPIIIRHSLSXABB-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.83
Rot. Bonds1

About 10-(2-methyl-1,3-thiazole-4-carbonyl)-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid

10-(2-methyl-1,3-thiazole-4-carbonyl)-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid (PubChem CID 67292513) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 10-(2-methyl-1,3-thiazole-4-carbonyl)-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid.

Molecular Properties

Compound Name10-(2-methyl-1,3-thiazole-4-carbonyl)-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid
PubChem CID67292513
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name10-(2-methyl-1,3-thiazole-4-carbonyl)-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid
SMILESCc1nc(C(=O)N2CCOC3(CCN(C(=O)O)CC3)CC2)cs1
InChIInChI=1S/C15H21N3O4S/c1-11-16-12(10-23-11)13(19)17-5-2-15(22-9-8-17)3-6-18(7-4-15)14(20)21/h10H,2-9H2,1H3,(H,20,21)
InChIKeyFPIIIRHSLSXABB-UHFFFAOYSA-N
XLogP1.83
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-(2-methyl-1,3-thiazole-4-carbonyl)-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid?
The IUPAC name of 10-(2-methyl-1,3-thiazole-4-carbonyl)-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid (CID 67292513) is 10-(2-methyl-1,3-thiazole-4-carbonyl)-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid.
What is the SMILES notation for 10-(2-methyl-1,3-thiazole-4-carbonyl)-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid?
The canonical SMILES for 10-(2-methyl-1,3-thiazole-4-carbonyl)-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid is Cc1nc(C(=O)N2CCOC3(CCN(C(=O)O)CC3)CC2)cs1.
What is the InChIKey of 10-(2-methyl-1,3-thiazole-4-carbonyl)-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid?
The InChIKey is FPIIIRHSLSXABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-11-16-12(10-23-11)13(19)17-5-2-15(22-9-8-17)3-6-18(7-4-15)14(20)21/h10H,2-9H2,1H3,(H,20,21).
What are the key properties of 10-(2-methyl-1,3-thiazole-4-carbonyl)-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid?
10-(2-methyl-1,3-thiazole-4-carbonyl)-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid has a molecular weight of 339.42 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methyl-1,3-thiazole-4-carbonyl)-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid is sourced from PubChem (CID 67292513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).