2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid

C11H11NO2S2 — CID 116889272

IUPAC2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid
SMILESCC(Cc1csc(-c2cccs2)n1)C(=O)O
InChIInChI=1S/C11H11NO2S2/c1-7(11(13)14)5-8-6-16-10(12-8)9-3-2-4-15-9/h2-4,6-7H,5H2,1H3,(H,13,14)
InChIKeyPUCXKECRAIZDQJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.13
Rot. Bonds4

About 2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid

2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid (PubChem CID 116889272) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid
PubChem CID116889272
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Name2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid
SMILESCC(Cc1csc(-c2cccs2)n1)C(=O)O
InChIInChI=1S/C11H11NO2S2/c1-7(11(13)14)5-8-6-16-10(12-8)9-3-2-4-15-9/h2-4,6-7H,5H2,1H3,(H,13,14)
InChIKeyPUCXKECRAIZDQJ-UHFFFAOYSA-N
XLogP3.13
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 43170823
3-[2-(2-bromophenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 116889292
(2S)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 95579077
(2S)-4-methyl-2-[[2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]acetyl]amino]pentanoic acid
CID 120694889
N-[(2R)-2-hydroxypropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 83032506
3-(2-thiophen-2-yl-1,3-thiazol-4-yl)butanoic acid
CID 116889223
N-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18197973
N-(4-hydroxybutan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 81048947
N-cyclopropyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27537384
3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 120913165
2-hydroxy-4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 107832419
1-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 121495515

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid (CID 116889272) is 2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid is CC(Cc1csc(-c2cccs2)n1)C(=O)O.
What is the InChIKey of 2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid?
The InChIKey is PUCXKECRAIZDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c1-7(11(13)14)5-8-6-16-10(12-8)9-3-2-4-15-9/h2-4,6-7H,5H2,1H3,(H,13,14).
What are the key properties of 2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid?
2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid has a molecular weight of 253.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid is sourced from PubChem (CID 116889272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).