[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate

C18H19N3O3S — CID 31433005

IUPAC[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate
SMILESCCN(C(C)=O)c1nc(COC(=O)Cc2c[nH]c3ccccc23)cs1
InChIInChI=1S/C18H19N3O3S/c1-3-21(12(2)22)18-20-14(11-25-18)10-24-17(23)8-13-9-19-16-7-5-4-6-15(13)16/h4-7,9,11,19H,3,8,10H2,1-2H3
InChIKeyVRZGWBHWXZBMNF-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.28
Rot. Bonds6

About [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate

[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate (PubChem CID 31433005) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate
PubChem CID31433005
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate
SMILESCCN(C(C)=O)c1nc(COC(=O)Cc2c[nH]c3ccccc23)cs1
InChIInChI=1S/C18H19N3O3S/c1-3-21(12(2)22)18-20-14(11-25-18)10-24-17(23)8-13-9-19-16-7-5-4-6-15(13)16/h4-7,9,11,19H,3,8,10H2,1-2H3
InChIKeyVRZGWBHWXZBMNF-UHFFFAOYSA-N
XLogP3.28
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate
CID 8892468
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate
CID 7666371
[2-(diethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960168
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 5-phenylpyrazolidine-3-carboxylate
CID 52987016
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1H-indol-3-yl)acetate
CID 4561051
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(1H-indol-3-yl)propanoate
CID 8749608
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 1H-indole-3-carboxylate
CID 27535390
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate
CID 55425378
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-[(3-bromobenzoyl)amino]acetate
CID 31207203
(2-fluorophenyl)methyl 2-(1H-indol-3-yl)acetate
CID 7665649
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 55403653
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(4-chlorobenzoyl)benzoate
CID 31201180

Frequently Asked Questions

What is the IUPAC name of [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate (CID 31433005) is [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate is CCN(C(C)=O)c1nc(COC(=O)Cc2c[nH]c3ccccc23)cs1.
What is the InChIKey of [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate?
The InChIKey is VRZGWBHWXZBMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-3-21(12(2)22)18-20-14(11-25-18)10-24-17(23)8-13-9-19-16-7-5-4-6-15(13)16/h4-7,9,11,19H,3,8,10H2,1-2H3.
What are the key properties of [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate?
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate has a molecular weight of 357.44 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 31433005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).