[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate

C16H18N2O5S2 — CID 7962610

IUPAC[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
SMILESCOC(=O)Cc1csc(NC(=O)COC(=O)CCCc2cccs2)n1
InChIInChI=1S/C16H18N2O5S2/c1-22-15(21)8-11-10-25-16(17-11)18-13(19)9-23-14(20)6-2-4-12-5-3-7-24-12/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,17,18,19)
InChIKeyQBLCMHWWGRSKMJ-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.42
Rot. Bonds9

About [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate

[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate (PubChem CID 7962610) has the molecular formula C16H18N2O5S2 and a molecular weight of 382.46 g/mol. Its IUPAC name is [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate.

Molecular Properties

Compound Name[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
PubChem CID7962610
Molecular FormulaC16H18N2O5S2
Molecular Weight382.46 g/mol
Exact Mass382.07
IUPAC Name[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
SMILESCOC(=O)Cc1csc(NC(=O)COC(=O)CCCc2cccs2)n1
InChIInChI=1S/C16H18N2O5S2/c1-22-15(21)8-11-10-25-16(17-11)18-13(19)9-23-14(20)6-2-4-12-5-3-7-24-12/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,17,18,19)
InChIKeyQBLCMHWWGRSKMJ-UHFFFAOYSA-N
XLogP2.42
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate with MolForge

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Related Compounds

methyl 2-[2-[[2-(2-ethoxyacetyl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 8709347
[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate
CID 7814134
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962575
[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 9139375
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962482
[2-(2-ethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962812
methyl 2-[2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 8579410
[2-(4-bromoanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962756
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962504
[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-fluorobenzoate
CID 7789394
methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62589885
methyl 2-[2-[[2-[2-(4-cyanophenoxy)acetyl]oxyacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 9141010

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate?
The IUPAC name of [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate (CID 7962610) is [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate.
What is the SMILES notation for [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate?
The canonical SMILES for [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate is COC(=O)Cc1csc(NC(=O)COC(=O)CCCc2cccs2)n1.
What is the InChIKey of [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate?
The InChIKey is QBLCMHWWGRSKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S2/c1-22-15(21)8-11-10-25-16(17-11)18-13(19)9-23-14(20)6-2-4-12-5-3-7-24-12/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,17,18,19).
What are the key properties of [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate?
[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate has a molecular weight of 382.46 g/mol, XLogP of 2.42, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate is sourced from PubChem (CID 7962610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).