ethyl 6-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]-5-oxohexanoate

C20H24N4O5S — CID 18323041

IUPACethyl 6-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]-5-oxohexanoate
SMILESCCOC(=O)CCCC(=O)CNC(=O)c1csc(NC(=O)NCc2ccccc2)n1
InChIInChI=1S/C20H24N4O5S/c1-2-29-17(26)10-6-9-15(25)12-21-18(27)16-13-30-20(23-16)24-19(28)22-11-14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12H2,1H3,(H,21,27)(H2,22,23,24,28)
InChIKeyULKLFVHWBJDORS-UHFFFAOYSA-N
MW432.50 g/mol
LogP2.50
Rot. Bonds11

About ethyl 6-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]-5-oxohexanoate

ethyl 6-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]-5-oxohexanoate (PubChem CID 18323041) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is ethyl 6-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]-5-oxohexanoate.

Molecular Properties

Compound Nameethyl 6-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]-5-oxohexanoate
PubChem CID18323041
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC Nameethyl 6-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]-5-oxohexanoate
SMILESCCOC(=O)CCCC(=O)CNC(=O)c1csc(NC(=O)NCc2ccccc2)n1
InChIInChI=1S/C20H24N4O5S/c1-2-29-17(26)10-6-9-15(25)12-21-18(27)16-13-30-20(23-16)24-19(28)22-11-14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12H2,1H3,(H,21,27)(H2,22,23,24,28)
InChIKeyULKLFVHWBJDORS-UHFFFAOYSA-N
XLogP2.50
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]-5-oxohexanoate with MolForge

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Related Compounds

ethyl 4-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]butanoate
CID 18322926
2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 18322900
tert-butyl 2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetate
CID 56989070
ethyl 3-amino-3-[4-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]phenyl]propanoate
CID 18323071
ethyl 3-phenyl-3-[[2-[[2-(2-phenylethylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetyl]amino]propanoate
CID 18322885
(propanoylamino) 2-[2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]phenyl]acetate
CID 174390395
2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
CID 16914921
N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555626
3-(benzylcarbamoyl)-6-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]hexanoate
CID 18323121
acetic acid;2-[[2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetyl]amino]-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylethyl]amino]-4-oxobutanoic acid
CID 174402476
ethyl 3-[ethyl-[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]propanoate
CID 84556484
2-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16948254

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]-5-oxohexanoate?
The IUPAC name of ethyl 6-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]-5-oxohexanoate (CID 18323041) is ethyl 6-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]-5-oxohexanoate.
What is the SMILES notation for ethyl 6-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]-5-oxohexanoate?
The canonical SMILES for ethyl 6-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]-5-oxohexanoate is CCOC(=O)CCCC(=O)CNC(=O)c1csc(NC(=O)NCc2ccccc2)n1.
What is the InChIKey of ethyl 6-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]-5-oxohexanoate?
The InChIKey is ULKLFVHWBJDORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-2-29-17(26)10-6-9-15(25)12-21-18(27)16-13-30-20(23-16)24-19(28)22-11-14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12H2,1H3,(H,21,27)(H2,22,23,24,28).
What are the key properties of ethyl 6-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]-5-oxohexanoate?
ethyl 6-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]-5-oxohexanoate has a molecular weight of 432.50 g/mol, XLogP of 2.50, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]-5-oxohexanoate is sourced from PubChem (CID 18323041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).