ethyl 5-(4-fluoroanilino)-3-morpholin-4-yl-1,2-thiazole-4-carboxylate

C16H18FN3O3S — CID 11725494

IUPACethyl 5-(4-fluoroanilino)-3-morpholin-4-yl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N2CCOCC2)nsc1Nc1ccc(F)cc1
InChIInChI=1S/C16H18FN3O3S/c1-2-23-16(21)13-14(20-7-9-22-10-8-20)19-24-15(13)18-12-5-3-11(17)4-6-12/h3-6,18H,2,7-10H2,1H3
InChIKeySEOPGVKPEJZXIU-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.04
Rot. Bonds5

About ethyl 5-(4-fluoroanilino)-3-morpholin-4-yl-1,2-thiazole-4-carboxylate

ethyl 5-(4-fluoroanilino)-3-morpholin-4-yl-1,2-thiazole-4-carboxylate (PubChem CID 11725494) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is ethyl 5-(4-fluoroanilino)-3-morpholin-4-yl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-fluoroanilino)-3-morpholin-4-yl-1,2-thiazole-4-carboxylate
PubChem CID11725494
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Nameethyl 5-(4-fluoroanilino)-3-morpholin-4-yl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N2CCOCC2)nsc1Nc1ccc(F)cc1
InChIInChI=1S/C16H18FN3O3S/c1-2-23-16(21)13-14(20-7-9-22-10-8-20)19-24-15(13)18-12-5-3-11(17)4-6-12/h3-6,18H,2,7-10H2,1H3
InChIKeySEOPGVKPEJZXIU-UHFFFAOYSA-N
XLogP3.04
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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 3-(4-ethoxycarbonylpiperazin-1-yl)-5-(4-fluoroanilino)-1,2-thiazole-4-carboxylate
CID 10387512
5-amino-3-(3-morpholin-4-ylpropylamino)-N-phenyl-1,2-thiazole-4-carboxamide
CID 89657642
Ethyl 5-(benzylamino)-3-morpholin-4-yl-1,2-thiazole-4-carboxylate
CID 10405408
Ethyl 5-(benzylamino)-3-(4-methylpiperazin-1-yl)-1,2-thiazole-4-carboxylate
CID 11726056
Ethyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate
CID 14171370
ethyl 3-amino-5-(N-ethyl-3-methylanilino)-1,2-thiazole-4-carboxylate
CID 103379648

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-fluoroanilino)-3-morpholin-4-yl-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(4-fluoroanilino)-3-morpholin-4-yl-1,2-thiazole-4-carboxylate (CID 11725494) is ethyl 5-(4-fluoroanilino)-3-morpholin-4-yl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(4-fluoroanilino)-3-morpholin-4-yl-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(4-fluoroanilino)-3-morpholin-4-yl-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(N2CCOCC2)nsc1Nc1ccc(F)cc1.
What is the InChIKey of ethyl 5-(4-fluoroanilino)-3-morpholin-4-yl-1,2-thiazole-4-carboxylate?
The InChIKey is SEOPGVKPEJZXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-2-23-16(21)13-14(20-7-9-22-10-8-20)19-24-15(13)18-12-5-3-11(17)4-6-12/h3-6,18H,2,7-10H2,1H3.
What are the key properties of ethyl 5-(4-fluoroanilino)-3-morpholin-4-yl-1,2-thiazole-4-carboxylate?
ethyl 5-(4-fluoroanilino)-3-morpholin-4-yl-1,2-thiazole-4-carboxylate has a molecular weight of 351.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-fluoroanilino)-3-morpholin-4-yl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 11725494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).