2-acetamido-3-[(4-ethyl-1,3-thiazol-2-yl)sulfanyl]propanoic acid

C10H14N2O3S2 — CID 107768348

IUPAC2-acetamido-3-[(4-ethyl-1,3-thiazol-2-yl)sulfanyl]propanoic acid
SMILESCCc1csc(SCC(NC(C)=O)C(=O)O)n1
InChIInChI=1S/C10H14N2O3S2/c1-3-7-4-16-10(12-7)17-5-8(9(14)15)11-6(2)13/h4,8H,3,5H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyCMPYFWVNFQZGIL-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.39
Rot. Bonds6

About 2-acetamido-3-[(4-ethyl-1,3-thiazol-2-yl)sulfanyl]propanoic acid

2-acetamido-3-[(4-ethyl-1,3-thiazol-2-yl)sulfanyl]propanoic acid (PubChem CID 107768348) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-acetamido-3-[(4-ethyl-1,3-thiazol-2-yl)sulfanyl]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[(4-ethyl-1,3-thiazol-2-yl)sulfanyl]propanoic acid
PubChem CID107768348
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC Name2-acetamido-3-[(4-ethyl-1,3-thiazol-2-yl)sulfanyl]propanoic acid
SMILESCCc1csc(SCC(NC(C)=O)C(=O)O)n1
InChIInChI=1S/C10H14N2O3S2/c1-3-7-4-16-10(12-7)17-5-8(9(14)15)11-6(2)13/h4,8H,3,5H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyCMPYFWVNFQZGIL-UHFFFAOYSA-N
XLogP1.39
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]propanoic acid
CID 107768433
(2R)-2-acetamido-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propanoic acid
CID 107775289
2-acetamido-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoic acid
CID 64581096
2-acetamido-3-(4-methylsulfanylphenyl)sulfanylpropanoic acid
CID 21322489
2-(3-chloro-2-methylpropyl)sulfanyl-4-ethyl-1,3-thiazole
CID 66106004
2-acetamido-3-pyridin-2-ylsulfanylpropanoic acid
CID 64582685
2-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid
CID 62962981
(2S)-2-acetamido-3-[[(2S)-2-acetamido-2-carboxyethyl]disulfanyl]propanoic acid
CID 11461484
2-acetamido-3-(4-acetamidophenyl)sulfanylpropanoic acid
CID 64582885
2-acetamido-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid
CID 64583484
(2R)-2-acetamido-3-(5-iodopyrimidin-4-yl)sulfanylpropanoic acid
CID 107775365
(2R)-2-acetamido-3-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)sulfanylpropanoic acid
CID 107775158

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[(4-ethyl-1,3-thiazol-2-yl)sulfanyl]propanoic acid?
The IUPAC name of 2-acetamido-3-[(4-ethyl-1,3-thiazol-2-yl)sulfanyl]propanoic acid (CID 107768348) is 2-acetamido-3-[(4-ethyl-1,3-thiazol-2-yl)sulfanyl]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[(4-ethyl-1,3-thiazol-2-yl)sulfanyl]propanoic acid?
The canonical SMILES for 2-acetamido-3-[(4-ethyl-1,3-thiazol-2-yl)sulfanyl]propanoic acid is CCc1csc(SCC(NC(C)=O)C(=O)O)n1.
What is the InChIKey of 2-acetamido-3-[(4-ethyl-1,3-thiazol-2-yl)sulfanyl]propanoic acid?
The InChIKey is CMPYFWVNFQZGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c1-3-7-4-16-10(12-7)17-5-8(9(14)15)11-6(2)13/h4,8H,3,5H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 2-acetamido-3-[(4-ethyl-1,3-thiazol-2-yl)sulfanyl]propanoic acid?
2-acetamido-3-[(4-ethyl-1,3-thiazol-2-yl)sulfanyl]propanoic acid has a molecular weight of 274.37 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[(4-ethyl-1,3-thiazol-2-yl)sulfanyl]propanoic acid is sourced from PubChem (CID 107768348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).