2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid

C9H7NO2S2 — CID 62502518

IUPAC2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Cc2cccs2)s1
InChIInChI=1S/C9H7NO2S2/c11-9(12)7-5-10-8(14-7)4-6-2-1-3-13-6/h1-3,5H,4H2,(H,11,12)
InChIKeyIEQXZFSHNQNJFS-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.49
Rot. Bonds3

About 2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid

2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 62502518) has the molecular formula C9H7NO2S2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID62502518
Molecular FormulaC9H7NO2S2
Molecular Weight225.29 g/mol
Exact Mass224.99
IUPAC Name2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Cc2cccs2)s1
InChIInChI=1S/C9H7NO2S2/c11-9(12)7-5-10-8(14-7)4-6-2-1-3-13-6/h1-3,5H,4H2,(H,11,12)
InChIKeyIEQXZFSHNQNJFS-UHFFFAOYSA-N
XLogP2.49
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 62502528
4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 62502517
2-hydroxyacetic acid;2-(thiophen-2-ylmethyl)thiophene
CID 22416732
4-propyl-2-(thiophen-2-ylmethyl)pyrimidine-5-carboxylic acid
CID 55079363
3-chloro-6-(thiophen-2-ylmethyl)pyridazine-4-carboxylic acid
CID 117127263
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 43333565
N-[1-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62652461
2-(3,3-dimethylbutyl)-1,3-thiazole-5-carboxylic acid
CID 59238443
carbonochloridic acid;2-ethylthiophene
CID 88766829
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507
CID 11204853
CID 11204853
2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191076

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid (CID 62502518) is 2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(Cc2cccs2)s1.
What is the InChIKey of 2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is IEQXZFSHNQNJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S2/c11-9(12)7-5-10-8(14-7)4-6-2-1-3-13-6/h1-3,5H,4H2,(H,11,12).
What are the key properties of 2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid?
2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62502518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).