2-[(1-ethoxy-1-oxopropan-2-yl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid

C12H16N2O4S — CID 113395742

IUPAC2-[(1-ethoxy-1-oxopropan-2-yl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
SMILESCCOC(=O)C(C)Nc1nc2c(s1)CCC2C(=O)O
InChIInChI=1S/C12H16N2O4S/c1-3-18-11(17)6(2)13-12-14-9-7(10(15)16)4-5-8(9)19-12/h6-7H,3-5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeySPSXQRHZRYROJI-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.62
Rot. Bonds5

About 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid

2-[(1-ethoxy-1-oxopropan-2-yl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid (PubChem CID 113395742) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1-ethoxy-1-oxopropan-2-yl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
PubChem CID113395742
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name2-[(1-ethoxy-1-oxopropan-2-yl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
SMILESCCOC(=O)C(C)Nc1nc2c(s1)CCC2C(=O)O
InChIInChI=1S/C12H16N2O4S/c1-3-18-11(17)6(2)13-12-14-9-7(10(15)16)4-5-8(9)19-12/h6-7H,3-5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeySPSXQRHZRYROJI-UHFFFAOYSA-N
XLogP1.62
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid with MolForge

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Related Compounds

2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395760
ethyl 2-(1-methylsulfanylpropan-2-ylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 113473116
2-(2-phenylpropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 104592490
2-(2,2,3,3-tetrafluoropropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 106296034
2-[(5-amino-5-oxopentyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 114162848
ethyl 2-(cyclopropylsulfonylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 138673799
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395741
2-[2-(dimethylsulfamoyl)ethylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 106343051
methyl 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569883
ethyl 2-[(5-oxopyrrolidin-3-yl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 106198164
ethyl 2-[(5-methyl-3-pyridinyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 107587125
2-[(2-methylthiolan-2-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395819

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
The IUPAC name of 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid (CID 113395742) is 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid is CCOC(=O)C(C)Nc1nc2c(s1)CCC2C(=O)O.
What is the InChIKey of 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
The InChIKey is SPSXQRHZRYROJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-3-18-11(17)6(2)13-12-14-9-7(10(15)16)4-5-8(9)19-12/h6-7H,3-5H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
2-[(1-ethoxy-1-oxopropan-2-yl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid is sourced from PubChem (CID 113395742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).