5-acetyl-2-(1-aminopropan-2-yl)-1,3-thiazole-4-carboxylic acid

C9H12N2O3S — CID 107380159

IUPAC5-acetyl-2-(1-aminopropan-2-yl)-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(C(C)CN)nc1C(=O)O
InChIInChI=1S/C9H12N2O3S/c1-4(3-10)8-11-6(9(13)14)7(15-8)5(2)12/h4H,3,10H2,1-2H3,(H,13,14)
InChIKeyGTZGTNNUHMOBFT-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.11
Rot. Bonds4

About 5-acetyl-2-(1-aminopropan-2-yl)-1,3-thiazole-4-carboxylic acid

5-acetyl-2-(1-aminopropan-2-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 107380159) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 5-acetyl-2-(1-aminopropan-2-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-(1-aminopropan-2-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID107380159
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name5-acetyl-2-(1-aminopropan-2-yl)-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(C(C)CN)nc1C(=O)O
InChIInChI=1S/C9H12N2O3S/c1-4(3-10)8-11-6(9(13)14)7(15-8)5(2)12/h4H,3,10H2,1-2H3,(H,13,14)
InChIKeyGTZGTNNUHMOBFT-UHFFFAOYSA-N
XLogP1.11
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-2-(methoxymethyl)-1,3-thiazole-4-carboxylic acid
CID 106696340
5-acetyl-2-(3-methylpentan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 106697199
5-acetyl-2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697062
5-acetyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-4-carboxylic acid
CID 106697057
5-acetyl-2-butyl-1,3-thiazole-4-carboxylic acid
CID 106696405
5-acetyl-2-(2-pyrrolidin-1-ylpropylamino)-1,3-thiazole-4-carboxylic acid
CID 106697934
5-acetyl-2-[1-cyclopropylethyl(methyl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697044
5-acetyl-2-(1-phenylethylamino)-1,3-thiazole-4-carboxylic acid
CID 106696708
5-acetyl-2-[cyclopropyl(3-methylbutyl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697473
5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylic acid
CID 106697979
4-(methoxymethyl)-2-(1-methoxypropan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114360811
5-acetyl-2-isoquinolin-1-yl-1,3-thiazole-4-carboxylic acid
CID 106696372

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(1-aminopropan-2-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-(1-aminopropan-2-yl)-1,3-thiazole-4-carboxylic acid (CID 107380159) is 5-acetyl-2-(1-aminopropan-2-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-(1-aminopropan-2-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-(1-aminopropan-2-yl)-1,3-thiazole-4-carboxylic acid is CC(=O)c1sc(C(C)CN)nc1C(=O)O.
What is the InChIKey of 5-acetyl-2-(1-aminopropan-2-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is GTZGTNNUHMOBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-4(3-10)8-11-6(9(13)14)7(15-8)5(2)12/h4H,3,10H2,1-2H3,(H,13,14).
What are the key properties of 5-acetyl-2-(1-aminopropan-2-yl)-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-(1-aminopropan-2-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 228.27 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(1-aminopropan-2-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 107380159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).