ethyl 5-methyl-2-(2-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylate

C14H17N3O2S — CID 116526337

IUPACethyl 5-methyl-2-(2-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NCCc2ccccn2)sc1C
InChIInChI=1S/C14H17N3O2S/c1-3-19-13(18)12-10(2)20-14(17-12)16-9-7-11-6-4-5-8-15-11/h4-6,8H,3,7,9H2,1-2H3,(H,16,17)
InChIKeyDJWAYHUGNVBBPO-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.68
Rot. Bonds6

About ethyl 5-methyl-2-(2-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylate

ethyl 5-methyl-2-(2-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylate (PubChem CID 116526337) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is ethyl 5-methyl-2-(2-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(2-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylate
PubChem CID116526337
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Nameethyl 5-methyl-2-(2-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NCCc2ccccn2)sc1C
InChIInChI=1S/C14H17N3O2S/c1-3-19-13(18)12-10(2)20-14(17-12)16-9-7-11-6-4-5-8-15-11/h4-6,8H,3,7,9H2,1-2H3,(H,16,17)
InChIKeyDJWAYHUGNVBBPO-UHFFFAOYSA-N
XLogP2.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-methyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate
CID 106106707
ethyl 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526595
ethyl 5-methyl-2-(3-pyrazol-1-ylpropylamino)-1,3-thiazole-4-carboxylate
CID 116527096
ethyl 2-(propylamino)-4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-5-carboxylate
CID 19589660
ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526343
4-(3,4-dimethoxyphenyl)-5-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine
CID 52882687
ethyl 2-(2,6-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526443
methyl 2-[2-(furan-2-yl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 113306858
ethyl 2-(pyridin-2-ylmethylamino)-1,3-thiazole-4-carboxylate
CID 80567880
methyl 5-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate
CID 113307000
ethyl 5-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-1,3-thiazole-4-carboxylate
CID 106411471
4-amino-2-(ethylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 116669038

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(2-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(2-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylate (CID 116526337) is ethyl 5-methyl-2-(2-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(2-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(2-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(NCCc2ccccn2)sc1C.
What is the InChIKey of ethyl 5-methyl-2-(2-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is DJWAYHUGNVBBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-19-13(18)12-10(2)20-14(17-12)16-9-7-11-6-4-5-8-15-11/h4-6,8H,3,7,9H2,1-2H3,(H,16,17).
What are the key properties of ethyl 5-methyl-2-(2-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylate?
ethyl 5-methyl-2-(2-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 291.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(2-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116526337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).