ethyl 4-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]benzoate

C20H25N3O3S — CID 2334129

IUPACethyl 4-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2csc(NC(=O)CN3CCC(C)CC3)n2)cc1
InChIInChI=1S/C20H25N3O3S/c1-3-26-19(25)16-6-4-15(5-7-16)17-13-27-20(21-17)22-18(24)12-23-10-8-14(2)9-11-23/h4-7,13-14H,3,8-12H2,1-2H3,(H,21,22,24)
InChIKeyLBVZJVQHGRYEID-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.66
Rot. Bonds6

About ethyl 4-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]benzoate

ethyl 4-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]benzoate (PubChem CID 2334129) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is ethyl 4-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]benzoate
PubChem CID2334129
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Nameethyl 4-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2csc(NC(=O)CN3CCC(C)CC3)n2)cc1
InChIInChI=1S/C20H25N3O3S/c1-3-26-19(25)16-6-4-15(5-7-16)17-13-27-20(21-17)22-18(24)12-23-10-8-14(2)9-11-23/h4-7,13-14H,3,8-12H2,1-2H3,(H,21,22,24)
InChIKeyLBVZJVQHGRYEID-UHFFFAOYSA-N
XLogP3.66
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]benzoate with MolForge

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Related Compounds

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benzyl (2S)-2-[[4-[4-(cyclopropylcarbamoyl)phenyl]thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate
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Methyl 4-(2-aminothiazol-4-yl)benzoate
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3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
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methyl 4-[(E)-{2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoate
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benzyl (2S)-2-[(4-phenylthiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
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CID 90683421
Methyl 4-(2-(5,6-dihydro-1,4-dioxine-2-carboxamido)thiazol-4-yl)benzoate
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Ethyl 1-{2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl}piperidine-3-carboxylate
CID 6471461
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]benzoate?
The IUPAC name of ethyl 4-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]benzoate (CID 2334129) is ethyl 4-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]benzoate.
What is the SMILES notation for ethyl 4-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]benzoate?
The canonical SMILES for ethyl 4-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]benzoate is CCOC(=O)c1ccc(-c2csc(NC(=O)CN3CCC(C)CC3)n2)cc1.
What is the InChIKey of ethyl 4-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]benzoate?
The InChIKey is LBVZJVQHGRYEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-3-26-19(25)16-6-4-15(5-7-16)17-13-27-20(21-17)22-18(24)12-23-10-8-14(2)9-11-23/h4-7,13-14H,3,8-12H2,1-2H3,(H,21,22,24).
What are the key properties of ethyl 4-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]benzoate?
ethyl 4-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]benzoate has a molecular weight of 387.51 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]benzoate is sourced from PubChem (CID 2334129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).