ethyl 5-acetyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylate

C12H14N4O3S — CID 107377357

IUPACethyl 5-acetyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(Nc2ccn(C)n2)sc1C(C)=O
InChIInChI=1S/C12H14N4O3S/c1-4-19-11(18)9-10(7(2)17)20-12(14-9)13-8-5-6-16(3)15-8/h5-6H,4H2,1-3H3,(H,13,14,15)
InChIKeyLGOHQDXLYUASFC-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.00
Rot. Bonds5

About ethyl 5-acetyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylate

ethyl 5-acetyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 107377357) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is ethyl 5-acetyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylate
PubChem CID107377357
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Nameethyl 5-acetyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(Nc2ccn(C)n2)sc1C(C)=O
InChIInChI=1S/C12H14N4O3S/c1-4-19-11(18)9-10(7(2)17)20-12(14-9)13-8-5-6-16(3)15-8/h5-6H,4H2,1-3H3,(H,13,14,15)
InChIKeyLGOHQDXLYUASFC-UHFFFAOYSA-N
XLogP2.00
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-methyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 80570340
ethyl 5-acetyl-2-(2-imidazol-1-ylethylamino)-1,3-thiazole-4-carboxylate
CID 107377667
methyl 4-chloro-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 79778588
ethyl 5-acetyl-2-(3-bromoanilino)-1,3-thiazole-4-carboxylate
CID 107377026
ethyl 5-acetyl-2-[(1-methylpyrazol-4-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 107377556
diethyl 2-acetamido-1,3-thiazole-4,5-dicarboxylate
CID 20788327
ethyl 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylate
CID 107378211
ethyl 5-acetyl-2-(2,2-difluoroethylamino)-1,3-thiazole-4-carboxylate
CID 107378177
ethyl 2-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxylate
CID 79778395
ethyl 5-methyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate
CID 106106707
ethyl 5-acetyl-2-[(5-amino-5-oxopentyl)amino]-1,3-thiazole-4-carboxylate
CID 106241485
ethyl 5-acetyl-2-(2,3,3-trimethylbutylamino)-1,3-thiazole-4-carboxylate
CID 107378230

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-acetyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylate (CID 107377357) is ethyl 5-acetyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-acetyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-acetyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(Nc2ccn(C)n2)sc1C(C)=O.
What is the InChIKey of ethyl 5-acetyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is LGOHQDXLYUASFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-4-19-11(18)9-10(7(2)17)20-12(14-9)13-8-5-6-16(3)15-8/h5-6H,4H2,1-3H3,(H,13,14,15).
What are the key properties of ethyl 5-acetyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylate?
ethyl 5-acetyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 294.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 107377357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).