2-[2-[(2-methylimidazol-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid

C10H11N3O2S — CID 84818107

IUPAC2-[2-[(2-methylimidazol-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid
SMILESCc1nccn1Cc1nc(CC(=O)O)cs1
InChIInChI=1S/C10H11N3O2S/c1-7-11-2-3-13(7)5-9-12-8(6-16-9)4-10(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyXYPSZYFXNRDBDT-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.32
Rot. Bonds4

About 2-[2-[(2-methylimidazol-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid

2-[2-[(2-methylimidazol-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 84818107) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-[2-[(2-methylimidazol-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methylimidazol-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID84818107
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name2-[2-[(2-methylimidazol-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid
SMILESCc1nccn1Cc1nc(CC(=O)O)cs1
InChIInChI=1S/C10H11N3O2S/c1-7-11-2-3-13(7)5-9-12-8(6-16-9)4-10(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyXYPSZYFXNRDBDT-UHFFFAOYSA-N
XLogP1.32
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-methylimidazol-1-yl)methyl]-1,3-thiazol-2-amine
CID 43137964
2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid
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2-[2-(2-methylprop-2-enyl)-1,3-thiazol-4-yl]acetic acid
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2-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]acetic acid
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2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-4-yl]acetic acid
CID 82032230
2-(2-methylimidazol-1-yl)acetic acid;zinc
CID 175370537
2-[2-[(4-methylpyridin-1-ium-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid chloride
CID 82032178
2-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]acetic acid
CID 59238394
2-(4-methyl-1,3-thiazol-2-yl)-1-(1-propylimidazol-2-yl)ethanone
CID 63975439
2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetic acid
CID 82131126
2-[2-[2-(2,4,5-trimethylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 82154399
2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 94256908

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylimidazol-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(2-methylimidazol-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid (CID 84818107) is 2-[2-[(2-methylimidazol-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2-methylimidazol-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(2-methylimidazol-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid is Cc1nccn1Cc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[(2-methylimidazol-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is XYPSZYFXNRDBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-7-11-2-3-13(7)5-9-12-8(6-16-9)4-10(14)15/h2-3,6H,4-5H2,1H3,(H,14,15).
What are the key properties of 2-[2-[(2-methylimidazol-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(2-methylimidazol-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 237.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylimidazol-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 84818107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).