2-[2-(2-thiophen-2-ylethyl)-1,3-thiazol-4-yl]acetic acid

C11H11NO2S2 — CID 82088222

IUPAC2-[2-(2-thiophen-2-ylethyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(CCc2cccs2)n1
InChIInChI=1S/C11H11NO2S2/c13-11(14)6-8-7-16-10(12-8)4-3-9-2-1-5-15-9/h1-2,5,7H,3-4,6H2,(H,13,14)
InChIKeyBVRMABNHRBNJHB-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.62
Rot. Bonds5

About 2-[2-(2-thiophen-2-ylethyl)-1,3-thiazol-4-yl]acetic acid

2-[2-(2-thiophen-2-ylethyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 82088222) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[2-(2-thiophen-2-ylethyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-thiophen-2-ylethyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID82088222
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Name2-[2-(2-thiophen-2-ylethyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(CCc2cccs2)n1
InChIInChI=1S/C11H11NO2S2/c13-11(14)6-8-7-16-10(12-8)4-3-9-2-1-5-15-9/h1-2,5,7H,3-4,6H2,(H,13,14)
InChIKeyBVRMABNHRBNJHB-UHFFFAOYSA-N
XLogP2.62
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetic acid
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2-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]acetic acid
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2-[2-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
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benzene;methane;2-thiophen-2-ylacetic acid
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2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
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2-[2-[2-(4-phenylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid
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ethyl 2-[2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]acetate
CID 80574337
2-[1-(2-thiophen-2-ylethyl)imidazol-4-yl]acetic acid
CID 82476422
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
CID 63892978
N-[4-(2-thiophen-2-ylethyl)-1,3-thiazol-2-yl]acetamide
CID 154216694

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-thiophen-2-ylethyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(2-thiophen-2-ylethyl)-1,3-thiazol-4-yl]acetic acid (CID 82088222) is 2-[2-(2-thiophen-2-ylethyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-thiophen-2-ylethyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(2-thiophen-2-ylethyl)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(CCc2cccs2)n1.
What is the InChIKey of 2-[2-(2-thiophen-2-ylethyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is BVRMABNHRBNJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c13-11(14)6-8-7-16-10(12-8)4-3-9-2-1-5-15-9/h1-2,5,7H,3-4,6H2,(H,13,14).
What are the key properties of 2-[2-(2-thiophen-2-ylethyl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(2-thiophen-2-ylethyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 253.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-thiophen-2-ylethyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 82088222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).