2-[(R)-(2-chloro-1,3-thiazol-5-yl)-hydroxymethyl]-2-hydroxybutanoic acid

C8H10ClNO4S — CID 175002854

IUPAC2-[(R)-(2-chloro-1,3-thiazol-5-yl)-hydroxymethyl]-2-hydroxybutanoic acid
SMILESCCC(O)(C(=O)O)[C@@H](O)c1cnc(Cl)s1
InChIInChI=1S/C8H10ClNO4S/c1-2-8(14,6(12)13)5(11)4-3-10-7(9)15-4/h3,5,11,14H,2H2,1H3,(H,12,13)/t5-,8?/m0/s1
InChIKeyKJBDWPNQZMFPLR-NTFOPCPOSA-N
MW251.69 g/mol
LogP1.06
Rot. Bonds4

About 2-[(R)-(2-chloro-1,3-thiazol-5-yl)-hydroxymethyl]-2-hydroxybutanoic acid

2-[(R)-(2-chloro-1,3-thiazol-5-yl)-hydroxymethyl]-2-hydroxybutanoic acid (PubChem CID 175002854) has the molecular formula C8H10ClNO4S and a molecular weight of 251.69 g/mol. Its IUPAC name is 2-[(R)-(2-chloro-1,3-thiazol-5-yl)-hydroxymethyl]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(R)-(2-chloro-1,3-thiazol-5-yl)-hydroxymethyl]-2-hydroxybutanoic acid
PubChem CID175002854
Molecular FormulaC8H10ClNO4S
Molecular Weight251.69 g/mol
Exact Mass251.00
IUPAC Name2-[(R)-(2-chloro-1,3-thiazol-5-yl)-hydroxymethyl]-2-hydroxybutanoic acid
SMILESCCC(O)(C(=O)O)[C@@H](O)c1cnc(Cl)s1
InChIInChI=1S/C8H10ClNO4S/c1-2-8(14,6(12)13)5(11)4-3-10-7(9)15-4/h3,5,11,14H,2H2,1H3,(H,12,13)/t5-,8?/m0/s1
InChIKeyKJBDWPNQZMFPLR-NTFOPCPOSA-N
XLogP1.06
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chloro-1,3-thiazol-5-yl)-3-hydroxypropanoic acid
CID 130614894
CID 123628682
CID 123628682
2-chloro-5-(3-methylbutan-2-yl)-1,3-thiazole
CID 140919580
2-chloro-N-ethyl-1,3-thiazole-5-carboxamide
CID 170344916
(2S)-2-amino-3-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-3-methylbutanoic acid
CID 106443261
2,3-diethyl-2-hydroxypentanoic acid
CID 79303581
N-[2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 135345940
(2S)-2-amino-3-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]propanoic acid
CID 107773244
2-[hydroxy-(2-methyl-1,3-thiazol-5-yl)methyl]-2-methylbutanenitrile
CID 130580490
3-(5-chloro-1,3-thiazol-2-yl)-2,2-difluoro-3-hydroxypropanoic acid
CID 107125467
5-butan-2-yl-1,3-thiazole-2-carboxylic acid
CID 142861315
2-[(5-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 79793461

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(2-chloro-1,3-thiazol-5-yl)-hydroxymethyl]-2-hydroxybutanoic acid?
The IUPAC name of 2-[(R)-(2-chloro-1,3-thiazol-5-yl)-hydroxymethyl]-2-hydroxybutanoic acid (CID 175002854) is 2-[(R)-(2-chloro-1,3-thiazol-5-yl)-hydroxymethyl]-2-hydroxybutanoic acid.
What is the SMILES notation for 2-[(R)-(2-chloro-1,3-thiazol-5-yl)-hydroxymethyl]-2-hydroxybutanoic acid?
The canonical SMILES for 2-[(R)-(2-chloro-1,3-thiazol-5-yl)-hydroxymethyl]-2-hydroxybutanoic acid is CCC(O)(C(=O)O)[C@@H](O)c1cnc(Cl)s1.
What is the InChIKey of 2-[(R)-(2-chloro-1,3-thiazol-5-yl)-hydroxymethyl]-2-hydroxybutanoic acid?
The InChIKey is KJBDWPNQZMFPLR-NTFOPCPOSA-N. The full InChI is InChI=1S/C8H10ClNO4S/c1-2-8(14,6(12)13)5(11)4-3-10-7(9)15-4/h3,5,11,14H,2H2,1H3,(H,12,13)/t5-,8?/m0/s1.
What are the key properties of 2-[(R)-(2-chloro-1,3-thiazol-5-yl)-hydroxymethyl]-2-hydroxybutanoic acid?
2-[(R)-(2-chloro-1,3-thiazol-5-yl)-hydroxymethyl]-2-hydroxybutanoic acid has a molecular weight of 251.69 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(2-chloro-1,3-thiazol-5-yl)-hydroxymethyl]-2-hydroxybutanoic acid is sourced from PubChem (CID 175002854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).