2-[(1S)-1-hydroxyethyl]-1,3-thiazole-4-carboxylic acid

C6H7NO3S — CID 45103110

IUPAC2-[(1S)-1-hydroxyethyl]-1,3-thiazole-4-carboxylic acid
SMILESC[C@H](O)c1nc(C(=O)O)cs1
InChIInChI=1S/C6H7NO3S/c1-3(8)5-7-4(2-11-5)6(9)10/h2-3,8H,1H3,(H,9,10)/t3-/m0/s1
InChIKeyUPXGWDLZLXSLIK-VKHMYHEASA-N
MW173.19 g/mol
LogP0.89
Rot. Bonds2

About 2-[(1S)-1-hydroxyethyl]-1,3-thiazole-4-carboxylic acid

2-[(1S)-1-hydroxyethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 45103110) has the molecular formula C6H7NO3S and a molecular weight of 173.19 g/mol. Its IUPAC name is 2-[(1S)-1-hydroxyethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1S)-1-hydroxyethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID45103110
Molecular FormulaC6H7NO3S
Molecular Weight173.19 g/mol
Exact Mass173.01
IUPAC Name2-[(1S)-1-hydroxyethyl]-1,3-thiazole-4-carboxylic acid
SMILESC[C@H](O)c1nc(C(=O)O)cs1
InChIInChI=1S/C6H7NO3S/c1-3(8)5-7-4(2-11-5)6(9)10/h2-3,8H,1H3,(H,9,10)/t3-/m0/s1
InChIKeyUPXGWDLZLXSLIK-VKHMYHEASA-N
XLogP0.89
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 105442108
2-[1-(azepan-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 79688728
2-(1-hydroxyhexadecyl)-1,3-thiazole-4-carboxylic acid
CID 123957885
2-[1-(sulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 114958949
2-[1-(prop-2-enoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379617
2-[1-(3-methylazetidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 79688026
2-[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 9158332
2-[1-(pentan-2-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 107886517
2-[1-(2,6-dimethyl-4-oxo-1-pyridinyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 79885577
2-[1-(pyridin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372975
2-(3-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 86670251
2-[1-(prop-2-enylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373884

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-hydroxyethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(1S)-1-hydroxyethyl]-1,3-thiazole-4-carboxylic acid (CID 45103110) is 2-[(1S)-1-hydroxyethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(1S)-1-hydroxyethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(1S)-1-hydroxyethyl]-1,3-thiazole-4-carboxylic acid is C[C@H](O)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[(1S)-1-hydroxyethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is UPXGWDLZLXSLIK-VKHMYHEASA-N. The full InChI is InChI=1S/C6H7NO3S/c1-3(8)5-7-4(2-11-5)6(9)10/h2-3,8H,1H3,(H,9,10)/t3-/m0/s1.
What are the key properties of 2-[(1S)-1-hydroxyethyl]-1,3-thiazole-4-carboxylic acid?
2-[(1S)-1-hydroxyethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 173.19 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-hydroxyethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 45103110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).