propyl 2-acetamido-1,3-thiazole-4-carboxylate

C9H12N2O3S — CID 46605335

IUPACpropyl 2-acetamido-1,3-thiazole-4-carboxylate
SMILESCCCOC(=O)c1csc(NC(C)=O)n1
InChIInChI=1S/C9H12N2O3S/c1-3-4-14-8(13)7-5-15-9(11-7)10-6(2)12/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyOPYGMEGDMOWQLA-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.67
Rot. Bonds4

About propyl 2-acetamido-1,3-thiazole-4-carboxylate

propyl 2-acetamido-1,3-thiazole-4-carboxylate (PubChem CID 46605335) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is propyl 2-acetamido-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namepropyl 2-acetamido-1,3-thiazole-4-carboxylate
PubChem CID46605335
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Namepropyl 2-acetamido-1,3-thiazole-4-carboxylate
SMILESCCCOC(=O)c1csc(NC(C)=O)n1
InChIInChI=1S/C9H12N2O3S/c1-3-4-14-8(13)7-5-15-9(11-7)10-6(2)12/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyOPYGMEGDMOWQLA-UHFFFAOYSA-N
XLogP1.67
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Acetamido-1,3-thiazole-4-carboxylic acid
CID 840113
Ethyl 2-aminothiazole-4-carboxylate
CID 73216
Ethyl 2-acetamido-1,3-thiazole-4-carboxylate
CID 702548
Ethyl 2-amino-1,3-thiazole-4-carboxylate hydrochloride
CID 16192542
Methyl 2-amino-1,3-thiazole-4-carboxylate
CID 840099
Ethyl 2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazole-4-carboxylate
CID 396823
Ethyl 2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 396824
Ethyl 2-(5,6-dihydro-1,4-dioxine-2-carboxamido)thiazole-4-carboxylate
CID 4133003
2-[2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-thiazole-4-carboxylic acid ethyl ester
CID 648413
Ethyl 2-butanamido-1,3-thiazole-4-carboxylate
CID 2326262
Ethyl 2-[(2-cyclopentylacetyl)amino]-1,3-thiazole-4-carboxylate
CID 2349751
Ethyl 2-(2-formylhydrazino)-1,3-thiazole-4-carboxylate
CID 2718854

Frequently Asked Questions

What is the IUPAC name of propyl 2-acetamido-1,3-thiazole-4-carboxylate?
The IUPAC name of propyl 2-acetamido-1,3-thiazole-4-carboxylate (CID 46605335) is propyl 2-acetamido-1,3-thiazole-4-carboxylate.
What is the SMILES notation for propyl 2-acetamido-1,3-thiazole-4-carboxylate?
The canonical SMILES for propyl 2-acetamido-1,3-thiazole-4-carboxylate is CCCOC(=O)c1csc(NC(C)=O)n1.
What is the InChIKey of propyl 2-acetamido-1,3-thiazole-4-carboxylate?
The InChIKey is OPYGMEGDMOWQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-3-4-14-8(13)7-5-15-9(11-7)10-6(2)12/h5H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of propyl 2-acetamido-1,3-thiazole-4-carboxylate?
propyl 2-acetamido-1,3-thiazole-4-carboxylate has a molecular weight of 228.27 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-acetamido-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 46605335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).