(2-morpholin-4-yl-2-oxoethyl) 2-(benzylamino)-1,3-thiazole-4-carboxylate

C17H19N3O4S — CID 7957322

IUPAC(2-morpholin-4-yl-2-oxoethyl) 2-(benzylamino)-1,3-thiazole-4-carboxylate
SMILESO=C(OCC(=O)N1CCOCC1)c1csc(NCc2ccccc2)n1
InChIInChI=1S/C17H19N3O4S/c21-15(20-6-8-23-9-7-20)11-24-16(22)14-12-25-17(19-14)18-10-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,18,19)
InChIKeySAJUANMGBNDLEM-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.77
Rot. Bonds6

About (2-morpholin-4-yl-2-oxoethyl) 2-(benzylamino)-1,3-thiazole-4-carboxylate

(2-morpholin-4-yl-2-oxoethyl) 2-(benzylamino)-1,3-thiazole-4-carboxylate (PubChem CID 7957322) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 2-(benzylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 2-(benzylamino)-1,3-thiazole-4-carboxylate
PubChem CID7957322
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 2-(benzylamino)-1,3-thiazole-4-carboxylate
SMILESO=C(OCC(=O)N1CCOCC1)c1csc(NCc2ccccc2)n1
InChIInChI=1S/C17H19N3O4S/c21-15(20-6-8-23-9-7-20)11-24-16(22)14-12-25-17(19-14)18-10-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,18,19)
InChIKeySAJUANMGBNDLEM-UHFFFAOYSA-N
XLogP1.77
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 16541994
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 7957251
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 46697258
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 42988107
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate
CID 7836114
[2-(benzylamino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 52897735
[2-(4-methylanilino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 7957336
[2-(4-fluoroanilino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 7957347
[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
CID 55312180
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 16562450
(2-morpholin-4-yl-2-oxoethyl) quinoxaline-2-carboxylate
CID 23773714
[2-(3-fluoroanilino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 7953436

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-(benzylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-(benzylamino)-1,3-thiazole-4-carboxylate (CID 7957322) is (2-morpholin-4-yl-2-oxoethyl) 2-(benzylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 2-(benzylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 2-(benzylamino)-1,3-thiazole-4-carboxylate is O=C(OCC(=O)N1CCOCC1)c1csc(NCc2ccccc2)n1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 2-(benzylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is SAJUANMGBNDLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c21-15(20-6-8-23-9-7-20)11-24-16(22)14-12-25-17(19-14)18-10-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,18,19).
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 2-(benzylamino)-1,3-thiazole-4-carboxylate?
(2-morpholin-4-yl-2-oxoethyl) 2-(benzylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 361.42 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 2-(benzylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 7957322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).