2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid

C11H11NO2S3 — CID 43241284

IUPAC2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid
SMILESCC(SCc1csc(-c2ccsc2)n1)C(=O)O
InChIInChI=1S/C11H11NO2S3/c1-7(11(13)14)16-5-9-6-17-10(12-9)8-2-3-15-4-8/h2-4,6-7H,5H2,1H3,(H,13,14)
InChIKeyJLAOCWFDTQBTBT-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.58
Rot. Bonds5

About 2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid

2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid (PubChem CID 43241284) has the molecular formula C11H11NO2S3 and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid.

Molecular Properties

Compound Name2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid
PubChem CID43241284
Molecular FormulaC11H11NO2S3
Molecular Weight285.41 g/mol
Exact Mass285.00
IUPAC Name2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid
SMILESCC(SCc1csc(-c2ccsc2)n1)C(=O)O
InChIInChI=1S/C11H11NO2S3/c1-7(11(13)14)16-5-9-6-17-10(12-9)8-2-3-15-4-8/h2-4,6-7H,5H2,1H3,(H,13,14)
InChIKeyJLAOCWFDTQBTBT-UHFFFAOYSA-N
XLogP3.58
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]butan-2-ol
CID 113244476
3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid
CID 43241285
2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanoic acid
CID 43237495
2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid
CID 43241506
2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol
CID 66104721
(2R)-2-[(2-anilino-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid
CID 2376201
4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole
CID 81222713
2-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115573430
2-methoxy-3-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 106107521
2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol
CID 111469884
(2S)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 95579077
N-(4-phenylbutan-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18203864

Frequently Asked Questions

What is the IUPAC name of 2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid?
The IUPAC name of 2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid (CID 43241284) is 2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid.
What is the SMILES notation for 2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid?
The canonical SMILES for 2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid is CC(SCc1csc(-c2ccsc2)n1)C(=O)O.
What is the InChIKey of 2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid?
The InChIKey is JLAOCWFDTQBTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S3/c1-7(11(13)14)16-5-9-6-17-10(12-9)8-2-3-15-4-8/h2-4,6-7H,5H2,1H3,(H,13,14).
What are the key properties of 2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid?
2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid has a molecular weight of 285.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid is sourced from PubChem (CID 43241284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).