2-(3-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid

C10H7NO3S — CID 43140162

IUPAC2-(3-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2cccc(O)c2)n1
InChIInChI=1S/C10H7NO3S/c12-7-3-1-2-6(4-7)9-11-8(5-15-9)10(13)14/h1-5,12H,(H,13,14)
InChIKeyPJBROFATYWROMQ-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.21
Rot. Bonds2

About 2-(3-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid

2-(3-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 43140162) has the molecular formula C10H7NO3S and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID43140162
Molecular FormulaC10H7NO3S
Molecular Weight221.24 g/mol
Exact Mass221.01
IUPAC Name2-(3-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2cccc(O)c2)n1
InChIInChI=1S/C10H7NO3S/c12-7-3-1-2-6(4-7)9-11-8(5-15-9)10(13)14/h1-5,12H,(H,13,14)
InChIKeyPJBROFATYWROMQ-UHFFFAOYSA-N
XLogP2.21
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 52983591
5-[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63355680
2-[3-[(4-methoxyphenoxy)methyl]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39158618
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
2-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 122565779
1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 64543607
2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 22687524
2-[3-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22686120
2-[3-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22682580
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 4962607
2-[(3-hydroxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid
CID 117187072
3-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]phenol
CID 64993453

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid (CID 43140162) is 2-(3-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2cccc(O)c2)n1.
What is the InChIKey of 2-(3-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is PJBROFATYWROMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3S/c12-7-3-1-2-6(4-7)9-11-8(5-15-9)10(13)14/h1-5,12H,(H,13,14).
What are the key properties of 2-(3-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid?
2-(3-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 221.24 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 43140162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).