[1-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate

C18H17N3O6S — CID 23803071

IUPAC[1-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate
SMILESCCOC(=O)Cc1csc(NC(=O)C(C)OC(=O)c2ccc3ocnc3c2)n1
InChIInChI=1S/C18H17N3O6S/c1-3-25-15(22)7-12-8-28-18(20-12)21-16(23)10(2)27-17(24)11-4-5-14-13(6-11)19-9-26-14/h4-6,8-10H,3,7H2,1-2H3,(H,20,21,23)
InChIKeyABMPONKECONPKG-UHFFFAOYSA-N
MW403.42 g/mol
LogP2.57
Rot. Bonds7

About [1-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate

[1-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate (PubChem CID 23803071) has the molecular formula C18H17N3O6S and a molecular weight of 403.42 g/mol. Its IUPAC name is [1-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate.

Molecular Properties

Compound Name[1-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate
PubChem CID23803071
Molecular FormulaC18H17N3O6S
Molecular Weight403.42 g/mol
Exact Mass403.08
IUPAC Name[1-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate
SMILESCCOC(=O)Cc1csc(NC(=O)C(C)OC(=O)c2ccc3ocnc3c2)n1
InChIInChI=1S/C18H17N3O6S/c1-3-25-15(22)7-12-8-28-18(20-12)21-16(23)10(2)27-17(24)11-4-5-14-13(6-11)19-9-26-14/h4-6,8-10H,3,7H2,1-2H3,(H,20,21,23)
InChIKeyABMPONKECONPKG-UHFFFAOYSA-N
XLogP2.57
TPSA120.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

[1-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 3H-benzimidazole-5-carboxylate
CID 23943969
[1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate
CID 23860248
ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 129010827
ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119262725
[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate
CID 23916073
[1-(4-iodoanilino)-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate
CID 23971984
ethyl 2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 3145095
[1-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate
CID 23972068
[1-oxo-1-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]butan-2-yl] 1,3-benzoxazole-5-carboxylate
CID 23744947
ethyl 2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 119672769
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
[1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate
CID 23944010

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate?
The IUPAC name of [1-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate (CID 23803071) is [1-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate.
What is the SMILES notation for [1-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate?
The canonical SMILES for [1-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate is CCOC(=O)Cc1csc(NC(=O)C(C)OC(=O)c2ccc3ocnc3c2)n1.
What is the InChIKey of [1-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate?
The InChIKey is ABMPONKECONPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O6S/c1-3-25-15(22)7-12-8-28-18(20-12)21-16(23)10(2)27-17(24)11-4-5-14-13(6-11)19-9-26-14/h4-6,8-10H,3,7H2,1-2H3,(H,20,21,23).
What are the key properties of [1-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate?
[1-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate has a molecular weight of 403.42 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate is sourced from PubChem (CID 23803071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).