5-(oxan-3-yl)-1,3-thiazole-4-carboxylic acid

C9H11NO3S — CID 106510417

IUPAC5-(oxan-3-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1C1CCCOC1
InChIInChI=1S/C9H11NO3S/c11-9(12)7-8(14-5-10-7)6-2-1-3-13-4-6/h5-6H,1-4H2,(H,11,12)
InChIKeyYBLZBDSCQBQMOU-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.74
Rot. Bonds2

About 5-(oxan-3-yl)-1,3-thiazole-4-carboxylic acid

5-(oxan-3-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 106510417) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 5-(oxan-3-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(oxan-3-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID106510417
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name5-(oxan-3-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1C1CCCOC1
InChIInChI=1S/C9H11NO3S/c11-9(12)7-8(14-5-10-7)6-2-1-3-13-4-6/h5-6H,1-4H2,(H,11,12)
InChIKeyYBLZBDSCQBQMOU-UHFFFAOYSA-N
XLogP1.74
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(oxan-3-ylmethylamino)-1,3-thiazole-4-carboxylic acid
CID 64631917
5-(oxan-3-yl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510949
2-(oxan-3-yl)-1,3-oxazole-4-carboxylic acid
CID 63014929
3-(oxan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117151920
2-[2-(oxan-3-yl)-1H-imidazol-5-yl]acetic acid
CID 115026773
(3R)-oxane-3-carboxylic acid
CID 42554318
2-(oxan-3-ylamino)pyrimidine-5-carboxylic acid
CID 115033816
2-amino-2-[4-(oxan-3-yl)pyrimidin-2-yl]acetic acid
CID 115041986
3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 63014931
(7S)-6,7-dihydro-5H-pyrano[2,3-d][1,3]thiazole-7-carboxylic acid
CID 124674332
2-(oxan-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373443
3-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propanoic acid
CID 115034902

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-3-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(oxan-3-yl)-1,3-thiazole-4-carboxylic acid (CID 106510417) is 5-(oxan-3-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(oxan-3-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(oxan-3-yl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1C1CCCOC1.
What is the InChIKey of 5-(oxan-3-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is YBLZBDSCQBQMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c11-9(12)7-8(14-5-10-7)6-2-1-3-13-4-6/h5-6H,1-4H2,(H,11,12).
What are the key properties of 5-(oxan-3-yl)-1,3-thiazole-4-carboxylic acid?
5-(oxan-3-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 213.26 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-3-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106510417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).