2-[prop-2-ynyl-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid

C14H12N2O3S2 — CID 79271382

IUPAC2-[prop-2-ynyl-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C14H12N2O3S2/c1-2-4-16(7-13(18)19)12(17)6-11-9-21-14(15-11)10-3-5-20-8-10/h1,3,5,8-9H,4,6-7H2,(H,18,19)
InChIKeyVFLBYUAIBGAAGL-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.96
Rot. Bonds6

About 2-[prop-2-ynyl-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid

2-[prop-2-ynyl-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid (PubChem CID 79271382) has the molecular formula C14H12N2O3S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[prop-2-ynyl-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[prop-2-ynyl-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
PubChem CID79271382
Molecular FormulaC14H12N2O3S2
Molecular Weight320.39 g/mol
Exact Mass320.03
IUPAC Name2-[prop-2-ynyl-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C14H12N2O3S2/c1-2-4-16(7-13(18)19)12(17)6-11-9-21-14(15-11)10-3-5-20-8-10/h1,3,5,8-9H,4,6-7H2,(H,18,19)
InChIKeyVFLBYUAIBGAAGL-UHFFFAOYSA-N
XLogP1.96
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[prop-2-ynyl-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51217435
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 115902353
2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl-prop-2-ynylamino]acetic acid
CID 79270004
2-[prop-2-ynyl-(2-pyridin-2-ylacetyl)amino]acetic acid
CID 79274079
N-cyclopropyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 17392861
3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid
CID 43241285
N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9399778
2-[1-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]azetidin-3-yl]acetic acid
CID 64605186
2-[prop-2-ynyl(thiophen-3-ylcarbamoyl)amino]acetic acid
CID 79286710
(2-amino-2-oxoethyl) 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129066
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391
2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-propylamino]acetic acid
CID 119204753

Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-ynyl-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[prop-2-ynyl-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid (CID 79271382) is 2-[prop-2-ynyl-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[prop-2-ynyl-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[prop-2-ynyl-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid is C#CCN(CC(=O)O)C(=O)Cc1csc(-c2ccsc2)n1.
What is the InChIKey of 2-[prop-2-ynyl-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid?
The InChIKey is VFLBYUAIBGAAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S2/c1-2-4-16(7-13(18)19)12(17)6-11-9-21-14(15-11)10-3-5-20-8-10/h1,3,5,8-9H,4,6-7H2,(H,18,19).
What are the key properties of 2-[prop-2-ynyl-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid?
2-[prop-2-ynyl-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid has a molecular weight of 320.39 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-ynyl-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 79271382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).