2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-5-carboxylic acid

C9H11NO5S — CID 11651686

IUPAC2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(C2C[C@H](O)[C@@H](CO)O2)s1
InChIInChI=1S/C9H11NO5S/c11-3-6-4(12)1-5(15-6)8-10-2-7(16-8)9(13)14/h2,4-6,11-12H,1,3H2,(H,13,14)/t4-,5?,6+/m0/s1
InChIKeyRSTALRNKVIVYRW-NOWQFEBASA-N
MW245.26 g/mol
LogP0.02
Rot. Bonds3

About 2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-5-carboxylic acid

2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 11651686) has the molecular formula C9H11NO5S and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID11651686
Molecular FormulaC9H11NO5S
Molecular Weight245.26 g/mol
Exact Mass245.04
IUPAC Name2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(C2C[C@H](O)[C@@H](CO)O2)s1
InChIInChI=1S/C9H11NO5S/c11-3-6-4(12)1-5(15-6)8-10-2-7(16-8)9(13)14/h2,4-6,11-12H,1,3H2,(H,13,14)/t4-,5?,6+/m0/s1
InChIKeyRSTALRNKVIVYRW-NOWQFEBASA-N
XLogP0.02
TPSA99.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide
CID 67354949
2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
CID 79668919
(2R,3S,5S)-5-(6-bromo-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
CID 139054704
1-[5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-3-(2-phenylethyl)urea
CID 46944052
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole-5-carboxylic acid
CID 112680544
[4-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]phenyl]-phenylmethanone
CID 135021118
6-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazin-2-one
CID 174215648
(2R,3S,5R)-5-(2,4-diaminopyrimidin-5-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 46242438
N-cyclopropyl-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-benzothiazole-5-carboxamide
CID 46948637
2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 80620104
(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid
CID 101368145
8-[(2R,4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 170585238

Frequently Asked Questions

What is the IUPAC name of 2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-5-carboxylic acid (CID 11651686) is 2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(C2C[C@H](O)[C@@H](CO)O2)s1.
What is the InChIKey of 2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is RSTALRNKVIVYRW-NOWQFEBASA-N. The full InChI is InChI=1S/C9H11NO5S/c11-3-6-4(12)1-5(15-6)8-10-2-7(16-8)9(13)14/h2,4-6,11-12H,1,3H2,(H,13,14)/t4-,5?,6+/m0/s1.
What are the key properties of 2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-5-carboxylic acid?
2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 245.26 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 11651686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).