2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1,3-thiazole-4-carboxylic acid

C10H12N2O4S — CID 131195911

IUPAC2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(N2CCC3(C2)OCCO3)n1
InChIInChI=1S/C10H12N2O4S/c13-8(14)7-5-17-9(11-7)12-2-1-10(6-12)15-3-4-16-10/h5H,1-4,6H2,(H,13,14)
InChIKeyWZEHSSSTUDMJNL-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.79
Rot. Bonds2

About 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1,3-thiazole-4-carboxylic acid

2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 131195911) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID131195911
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(N2CCC3(C2)OCCO3)n1
InChIInChI=1S/C10H12N2O4S/c13-8(14)7-5-17-9(11-7)12-2-1-10(6-12)15-3-4-16-10/h5H,1-4,6H2,(H,13,14)
InChIKeyWZEHSSSTUDMJNL-UHFFFAOYSA-N
XLogP0.79
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80567945
2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80568443
2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 130985561
2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylic acid
CID 80568267
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 130700102
methyl 2-(1-oxa-8-azaspiro[4.5]decan-8-yl)-1,3-thiazole-4-carboxylate
CID 70845976
2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80568075
2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 80567491
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,3-thiazole-4-carboxylic acid
CID 80569253
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 110694234
2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 80568894
2-(3-oxo-1,4-diazepan-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80568485

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1,3-thiazole-4-carboxylic acid (CID 131195911) is 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(N2CCC3(C2)OCCO3)n1.
What is the InChIKey of 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is WZEHSSSTUDMJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c13-8(14)7-5-17-9(11-7)12-2-1-10(6-12)15-3-4-16-10/h5H,1-4,6H2,(H,13,14).
What are the key properties of 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1,3-thiazole-4-carboxylic acid?
2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 256.28 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 131195911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).