ethyl 2-[1-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethyl]-1,3-thiazole-4-carboxylate

C20H24N4O6S — CID 10049321

IUPACethyl 2-[1-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(C(C)NC(=O)CNC(=O)CNC(=O)OCc2ccccc2)n1
InChIInChI=1S/C20H24N4O6S/c1-3-29-19(27)15-12-31-18(24-15)13(2)23-17(26)10-21-16(25)9-22-20(28)30-11-14-7-5-4-6-8-14/h4-8,12-13H,3,9-11H2,1-2H3,(H,21,25)(H,22,28)(H,23,26)
InChIKeyBSRQKWXPRMFUBI-UHFFFAOYSA-N
MW448.50 g/mol
LogP1.54
Rot. Bonds10

About ethyl 2-[1-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethyl]-1,3-thiazole-4-carboxylate

ethyl 2-[1-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethyl]-1,3-thiazole-4-carboxylate (PubChem CID 10049321) has the molecular formula C20H24N4O6S and a molecular weight of 448.50 g/mol. Its IUPAC name is ethyl 2-[1-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[1-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethyl]-1,3-thiazole-4-carboxylate
PubChem CID10049321
Molecular FormulaC20H24N4O6S
Molecular Weight448.50 g/mol
Exact Mass448.14
IUPAC Nameethyl 2-[1-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(C(C)NC(=O)CNC(=O)CNC(=O)OCc2ccccc2)n1
InChIInChI=1S/C20H24N4O6S/c1-3-29-19(27)15-12-31-18(24-15)13(2)23-17(26)10-21-16(25)9-22-20(28)30-11-14-7-5-4-6-8-14/h4-8,12-13H,3,9-11H2,1-2H3,(H,21,25)(H,22,28)(H,23,26)
InChIKeyBSRQKWXPRMFUBI-UHFFFAOYSA-N
XLogP1.54
TPSA135.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[1-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethyl]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

ethyl 2-[(3R)-4-methyl-3-(phenylmethoxycarbonylamino)pentanoyl]-1,3-thiazole-4-carboxylate
CID 10272579
benzyl N-[1-[4-(hydrazinecarbonyl)-1,3-thiazol-2-yl]-3-methylbutyl]carbamate
CID 18508167
ethyl 2-[[2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetyl]amino]acetate
CID 23278167
benzyl N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate
CID 60596157
benzyl N-[(1R)-1-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]carbamate
CID 163278804
ethyl 2-[[(Z)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)prop-1-enyl]amino]-1,3-thiazole-4-carboxylate
CID 44783243
ethyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate
CID 47187222
ethyl 2-(phenylmethoxymethyl)-1,3-thiazole-4-carboxylate
CID 137320111
benzyl N-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]carbamate
CID 60618425
benzyl N-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]carbamate
CID 14404662
ethyl 2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylate
CID 99816625
benzyl (2R)-3-phenyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoate
CID 92526571

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[1-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethyl]-1,3-thiazole-4-carboxylate (CID 10049321) is ethyl 2-[1-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[1-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[1-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(C(C)NC(=O)CNC(=O)CNC(=O)OCc2ccccc2)n1.
What is the InChIKey of ethyl 2-[1-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethyl]-1,3-thiazole-4-carboxylate?
The InChIKey is BSRQKWXPRMFUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O6S/c1-3-29-19(27)15-12-31-18(24-15)13(2)23-17(26)10-21-16(25)9-22-20(28)30-11-14-7-5-4-6-8-14/h4-8,12-13H,3,9-11H2,1-2H3,(H,21,25)(H,22,28)(H,23,26).
What are the key properties of ethyl 2-[1-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethyl]-1,3-thiazole-4-carboxylate?
ethyl 2-[1-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethyl]-1,3-thiazole-4-carboxylate has a molecular weight of 448.50 g/mol, XLogP of 1.54, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 10049321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).