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

C10H9NO2S2 — CID 62502517

IUPAC4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(Cc2cccs2)sc1C(=O)O
InChIInChI=1S/C10H9NO2S2/c1-6-9(10(12)13)15-8(11-6)5-7-3-2-4-14-7/h2-4H,5H2,1H3,(H,12,13)
InChIKeyXRNKZQDXDVXKRU-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.80
Rot. Bonds3

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

4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 62502517) has the molecular formula C10H9NO2S2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID62502517
Molecular FormulaC10H9NO2S2
Molecular Weight239.32 g/mol
Exact Mass239.01
IUPAC Name4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(Cc2cccs2)sc1C(=O)O
InChIInChI=1S/C10H9NO2S2/c1-6-9(10(12)13)15-8(11-6)5-7-3-2-4-14-7/h2-4H,5H2,1H3,(H,12,13)
InChIKeyXRNKZQDXDVXKRU-UHFFFAOYSA-N
XLogP2.80
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63629831
2-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 83969596
4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid
CID 62795474
4-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62765983
2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 62502518
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-[[(3-methylthiophene-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63628129
N-[[4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62501019
4-methyl-2-thiophen-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 31839852
4-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80569880
2-(2-anilino-2-oxoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154722

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid (CID 62502517) is 4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid is Cc1nc(Cc2cccs2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is XRNKZQDXDVXKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S2/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 4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid?
4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 239.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62502517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).