2-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid

C10H9NO3S — CID 83969596

IUPAC2-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(Cc2ccco2)sc1C(=O)O
InChIInChI=1S/C10H9NO3S/c1-6-9(10(12)13)15-8(11-6)5-7-3-2-4-14-7/h2-4H,5H2,1H3,(H,12,13)
InChIKeyOMDUDTIIGRMVKE-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.33
Rot. Bonds3

About 2-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 83969596) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID83969596
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name2-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(Cc2ccco2)sc1C(=O)O
InChIInChI=1S/C10H9NO3S/c1-6-9(10(12)13)15-8(11-6)5-7-3-2-4-14-7/h2-4H,5H2,1H3,(H,12,13)
InChIKeyOMDUDTIIGRMVKE-UHFFFAOYSA-N
XLogP2.33
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 62502517
2-(aminomethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 82119492
1-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylbutan-1-one
CID 170582471
4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid
CID 62795474
2-(carboxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154755
4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 18593832
4-methyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 79018828
2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 43155311
4-methyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 4874792
2-[1-(furan-2-yl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570272
tert-butyl N-[[5-(furan-2-ylmethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]carbamate
CID 110675610
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 18156517

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 83969596) is 2-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(Cc2ccco2)sc1C(=O)O.
What is the InChIKey of 2-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is OMDUDTIIGRMVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-6-9(10(12)13)15-8(11-6)5-7-3-2-4-14-7/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of 2-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 223.25 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 83969596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).