2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid

C8H9NO2S2 — CID 80620104

IUPAC2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(C2CCCS2)s1
InChIInChI=1S/C8H9NO2S2/c10-8(11)6-4-9-7(13-6)5-2-1-3-12-5/h4-5H,1-3H2,(H,10,11)
InChIKeyWBKVWPACPHRFLN-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.41
Rot. Bonds2

About 2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid

2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 80620104) has the molecular formula C8H9NO2S2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID80620104
Molecular FormulaC8H9NO2S2
Molecular Weight215.30 g/mol
Exact Mass215.01
IUPAC Name2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(C2CCCS2)s1
InChIInChI=1S/C8H9NO2S2/c10-8(11)6-4-9-7(13-6)5-2-1-3-12-5/h4-5H,1-3H2,(H,10,11)
InChIKeyWBKVWPACPHRFLN-UHFFFAOYSA-N
XLogP2.41
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(thiolan-2-yl)-1,3-thiazol-5-yl]propan-2-one
CID 115090502
2-(thiolan-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 115090879
2-(thiolan-2-ylmethylamino)-1,3-thiazole-5-carboxylic acid
CID 80587042
2-piperidin-3-yl-1,3-thiazole-5-carboxylic acid
CID 105466008
4-methyl-2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 80620012
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole-5-carboxylic acid
CID 112680544
2-(thian-2-ylmethylamino)-1,3-thiazole-5-carboxylic acid
CID 80612543
5-bromo-2-(thiolan-2-yl)pyrimidine-4-carboxylic acid
CID 106512127
2-[2-(thiolan-2-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090515
2-chloro-5-(thiolan-2-yl)pyridine-3-carboxylic acid
CID 115045123
2-[1-(3-methylcyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 136556526
5-(thiolan-2-yl)-1,2-oxazole-4-carboxylic acid
CID 105452041

Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid (CID 80620104) is 2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(C2CCCS2)s1.
What is the InChIKey of 2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is WBKVWPACPHRFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S2/c10-8(11)6-4-9-7(13-6)5-2-1-3-12-5/h4-5H,1-3H2,(H,10,11).
What are the key properties of 2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid?
2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 215.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80620104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).