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

C13H18N4O2S — CID 106106707

IUPACethyl 5-methyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NCCc2ccn(C)n2)sc1C
InChIInChI=1S/C13H18N4O2S/c1-4-19-12(18)11-9(2)20-13(15-11)14-7-5-10-6-8-17(3)16-10/h6,8H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyPDIYQMOUESVJHM-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.02
Rot. Bonds6

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

ethyl 5-methyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate (PubChem CID 106106707) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is ethyl 5-methyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate
PubChem CID106106707
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Nameethyl 5-methyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NCCc2ccn(C)n2)sc1C
InChIInChI=1S/C13H18N4O2S/c1-4-19-12(18)11-9(2)20-13(15-11)14-7-5-10-6-8-17(3)16-10/h6,8H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyPDIYQMOUESVJHM-UHFFFAOYSA-N
XLogP2.02
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-methyl-2-(2-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylate
CID 116526337
ethyl 3-[2-[2-(1-methylpyrazol-3-yl)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 106106701
ethyl 5-methyl-2-(3-pyrazol-1-ylpropylamino)-1,3-thiazole-4-carboxylate
CID 116527096
ethyl 3-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzoate
CID 106106238
ethyl 3-hydroxy-4-[2-(1-methylpyrazol-3-yl)ethylamino]butanoate
CID 114144039
ethyl 4-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 106106171
methyl 5-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate
CID 113307000
ethyl 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526595
ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526343
ethyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526353
ethyl 5-acetyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 107377357
ethyl 2-[1-(diethylamino)propan-2-ylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526669

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate (CID 106106707) is ethyl 5-methyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(NCCc2ccn(C)n2)sc1C.
What is the InChIKey of ethyl 5-methyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate?
The InChIKey is PDIYQMOUESVJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-4-19-12(18)11-9(2)20-13(15-11)14-7-5-10-6-8-17(3)16-10/h6,8H,4-5,7H2,1-3H3,(H,14,15).
What are the key properties of ethyl 5-methyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate?
ethyl 5-methyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate has a molecular weight of 294.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106106707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).