ethyl 3-amino-5-(N-ethyl-3-methylanilino)-1,2-thiazole-4-carboxylate

C15H19N3O2S — CID 103379648

IUPACethyl 3-amino-5-(N-ethyl-3-methylanilino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1N(CC)c1cccc(C)c1
InChIInChI=1S/C15H19N3O2S/c1-4-18(11-8-6-7-10(3)9-11)14-12(13(16)17-21-14)15(19)20-5-2/h6-9H,4-5H2,1-3H3,(H2,16,17)
InChIKeyJBZYDQSFBSIHLM-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.37
Rot. Bonds5

About ethyl 3-amino-5-(N-ethyl-3-methylanilino)-1,2-thiazole-4-carboxylate

ethyl 3-amino-5-(N-ethyl-3-methylanilino)-1,2-thiazole-4-carboxylate (PubChem CID 103379648) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is ethyl 3-amino-5-(N-ethyl-3-methylanilino)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(N-ethyl-3-methylanilino)-1,2-thiazole-4-carboxylate
PubChem CID103379648
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Nameethyl 3-amino-5-(N-ethyl-3-methylanilino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1N(CC)c1cccc(C)c1
InChIInChI=1S/C15H19N3O2S/c1-4-18(11-8-6-7-10(3)9-11)14-12(13(16)17-21-14)15(19)20-5-2/h6-9H,4-5H2,1-3H3,(H2,16,17)
InChIKeyJBZYDQSFBSIHLM-UHFFFAOYSA-N
XLogP3.37
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 5-(4-fluoroanilino)-3-(1-pyrrolidinyl)-4-isothiazolecarboxylate
CID 385019
Ethyl 5-anilino-3-pyrrolidin-1-yl-1,2-thiazole-4-carboxylate;hydrobromide
CID 385016
Ethyl 5-anilino-3-pyrrolidin-1-yl-isothiazole-4-carboxylate
CID 385017
Methyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate
CID 14171369
Tert-butyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate
CID 14171371
Ethyl 5-(4-fluoroanilino)-3-(4-methylpiperazin-1-yl)-1,2-thiazole-4-carboxylate
CID 10338808
Ethyl 5-(4-fluoroanilino)-3-morpholin-4-yl-1,2-thiazole-4-carboxylate
CID 11725494
Ethyl 3-amino-5-[3-(trifluoromethyl)anilino]-1,2-thiazole-4-carboxylate
CID 14171378
Ethyl 3-amino-5-[1-(4-fluorophenyl)ethylamino]-1,2-thiazole-4-carboxylate
CID 103379079
Methyl 3-amino-5-[1-(4-fluorophenyl)ethylamino]-1,2-thiazole-4-carboxylate
CID 103379080
Ethyl 3-amino-5-[1-(3-fluorophenyl)ethylamino]-1,2-thiazole-4-carboxylate
CID 103379103
Methyl 3-amino-5-[1-(3-fluorophenyl)ethylamino]-1,2-thiazole-4-carboxylate
CID 103379104

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(N-ethyl-3-methylanilino)-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-5-(N-ethyl-3-methylanilino)-1,2-thiazole-4-carboxylate (CID 103379648) is ethyl 3-amino-5-(N-ethyl-3-methylanilino)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(N-ethyl-3-methylanilino)-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(N-ethyl-3-methylanilino)-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(N)nsc1N(CC)c1cccc(C)c1.
What is the InChIKey of ethyl 3-amino-5-(N-ethyl-3-methylanilino)-1,2-thiazole-4-carboxylate?
The InChIKey is JBZYDQSFBSIHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-4-18(11-8-6-7-10(3)9-11)14-12(13(16)17-21-14)15(19)20-5-2/h6-9H,4-5H2,1-3H3,(H2,16,17).
What are the key properties of ethyl 3-amino-5-(N-ethyl-3-methylanilino)-1,2-thiazole-4-carboxylate?
ethyl 3-amino-5-(N-ethyl-3-methylanilino)-1,2-thiazole-4-carboxylate has a molecular weight of 305.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(N-ethyl-3-methylanilino)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103379648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).