2-[(5-acetyl-1,3-thiazol-2-yl)amino]acetic acid;ethane

C11H20N2O3S — CID 143328357

IUPAC2-[(5-acetyl-1,3-thiazol-2-yl)amino]acetic acid;ethane
SMILESCC.CC.CC(=O)c1cnc(NCC(=O)O)s1
InChIInChI=1S/C7H8N2O3S.2C2H6/c1-4(10)5-2-8-7(13-5)9-3-6(11)12;2*1-2/h2H,3H2,1H3,(H,8,9)(H,11,12);2*1-2H3
InChIKeyWFJKCSXWPLKIPW-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.89
Rot. Bonds4

About 2-[(5-acetyl-1,3-thiazol-2-yl)amino]acetic acid;ethane

2-[(5-acetyl-1,3-thiazol-2-yl)amino]acetic acid;ethane (PubChem CID 143328357) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-[(5-acetyl-1,3-thiazol-2-yl)amino]acetic acid;ethane.

Molecular Properties

Compound Name2-[(5-acetyl-1,3-thiazol-2-yl)amino]acetic acid;ethane
PubChem CID143328357
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name2-[(5-acetyl-1,3-thiazol-2-yl)amino]acetic acid;ethane
SMILESCC.CC.CC(=O)c1cnc(NCC(=O)O)s1
InChIInChI=1S/C7H8N2O3S.2C2H6/c1-4(10)5-2-8-7(13-5)9-3-6(11)12;2*1-2/h2H,3H2,1H3,(H,8,9)(H,11,12);2*1-2H3
InChIKeyWFJKCSXWPLKIPW-UHFFFAOYSA-N
XLogP2.89
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(propylamino)-1,3-thiazol-5-yl]ethanone
CID 58688654
2-(2-methylprop-2-enylamino)-1,3-thiazole-5-carboxylic acid
CID 130569093
N-(5-acetyl-1,3-thiazol-2-yl)acetamide;hydrobromide
CID 141437106
2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylic acid
CID 80571798
N-(5-acetyl-1,3-thiazol-2-yl)-methylboronamidic acid
CID 58334936
(2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-aminobutanamide;hydrochloride
CID 119329727
N-(5-acetyl-1,3-thiazol-2-yl)prop-2-ynamide
CID 130778390
methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-5-carboxylate
CID 80571719
2-(2-aminoethylamino)-1,3-thiazole-5-carboxylic acid
CID 130569064
N-(5-acetyl-1,3-thiazol-2-yl)-methylboronamidic acid;N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylboronamidic acid
CID 160681427
2-(octylamino)-1,3-thiazole-5-carboxylic acid
CID 115565235
(2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-amino-3-methylbutanamide
CID 119329732

Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetyl-1,3-thiazol-2-yl)amino]acetic acid;ethane?
The IUPAC name of 2-[(5-acetyl-1,3-thiazol-2-yl)amino]acetic acid;ethane (CID 143328357) is 2-[(5-acetyl-1,3-thiazol-2-yl)amino]acetic acid;ethane.
What is the SMILES notation for 2-[(5-acetyl-1,3-thiazol-2-yl)amino]acetic acid;ethane?
The canonical SMILES for 2-[(5-acetyl-1,3-thiazol-2-yl)amino]acetic acid;ethane is CC.CC.CC(=O)c1cnc(NCC(=O)O)s1.
What is the InChIKey of 2-[(5-acetyl-1,3-thiazol-2-yl)amino]acetic acid;ethane?
The InChIKey is WFJKCSXWPLKIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S.2C2H6/c1-4(10)5-2-8-7(13-5)9-3-6(11)12;2*1-2/h2H,3H2,1H3,(H,8,9)(H,11,12);2*1-2H3.
What are the key properties of 2-[(5-acetyl-1,3-thiazol-2-yl)amino]acetic acid;ethane?
2-[(5-acetyl-1,3-thiazol-2-yl)amino]acetic acid;ethane has a molecular weight of 260.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetyl-1,3-thiazol-2-yl)amino]acetic acid;ethane is sourced from PubChem (CID 143328357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).