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

C14H17N3O2S — CID 116526509

IUPACethyl 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NC(C)c2cccnc2)sc1C
InChIInChI=1S/C14H17N3O2S/c1-4-19-13(18)12-10(3)20-14(17-12)16-9(2)11-6-5-7-15-8-11/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyKCSKTOLUHWZQDR-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.20
Rot. Bonds5

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

ethyl 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylate (PubChem CID 116526509) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is ethyl 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylate
PubChem CID116526509
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Nameethyl 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NC(C)c2cccnc2)sc1C
InChIInChI=1S/C14H17N3O2S/c1-4-19-13(18)12-10(3)20-14(17-12)16-9(2)11-6-5-7-15-8-11/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyKCSKTOLUHWZQDR-UHFFFAOYSA-N
XLogP3.20
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylic acid
CID 115423528
ethyl 2-[1-(4-fluorophenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526620
ethyl 5-methyl-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate
CID 116527076
ethyl 2-[(1-amino-1-oxopropan-2-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526523
ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate
CID 81405022
ethyl 2-[1-(diethylamino)propan-2-ylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526669
ethyl 2-(heptan-2-ylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526761
2-N-(1-pyridin-3-ylethyl)-1,3-thiazole-2,5-diamine
CID 102767611
ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526343
ethyl 2-(4-ethylsulfanylbutan-2-ylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527146
ethyl 2,2-dimethyl-4-oxo-4-[[(1R)-1-pyridin-3-ylethyl]amino]butanoate
CID 124737622
ethyl 2-(2,6-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526443

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylate (CID 116526509) is ethyl 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(NC(C)c2cccnc2)sc1C.
What is the InChIKey of ethyl 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is KCSKTOLUHWZQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-4-19-13(18)12-10(3)20-14(17-12)16-9(2)11-6-5-7-15-8-11/h5-9H,4H2,1-3H3,(H,16,17).
What are the key properties of ethyl 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylate?
ethyl 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 291.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116526509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).