ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxylate

C19H23N3O2S — CID 10570328

IUPACethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc([C@H](N)Cc2c[nH]c3ccccc23)sc1C(C)C
InChIInChI=1S/C19H23N3O2S/c1-4-24-19(23)16-17(11(2)3)25-18(22-16)14(20)9-12-10-21-15-8-6-5-7-13(12)15/h5-8,10-11,14,21H,4,9,20H2,1-3H3/t14-/m1/s1
InChIKeyRDJMEUHZKOEKSW-CQSZACIVSA-N
MW357.48 g/mol
LogP4.17
Rot. Bonds6

About ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxylate

ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxylate (PubChem CID 10570328) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxylate
PubChem CID10570328
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Nameethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc([C@H](N)Cc2c[nH]c3ccccc23)sc1C(C)C
InChIInChI=1S/C19H23N3O2S/c1-4-24-19(23)16-17(11(2)3)25-18(22-16)14(20)9-12-10-21-15-8-6-5-7-13(12)15/h5-8,10-11,14,21H,4,9,20H2,1-3H3/t14-/m1/s1
InChIKeyRDJMEUHZKOEKSW-CQSZACIVSA-N
XLogP4.17
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-phenyl-1,3-thiazole-4-carboxylate
CID 10548492
ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-ethyl-1,3-oxazole-4-carboxylate
CID 10544189
ethyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617475
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583
ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
CID 16637454
2-[(1R)-1-[[(2S)-2-amino-4-methylpentanoyl]-(azepane-1-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 67777674
ethyl 2-[(1R)-2-(1H-indol-3-yl)-1-(phenylmethoxycarbonylamino)ethyl]-5-propan-2-yl-1H-imidazole-4-carboxylate
CID 10504704
ethyl 2-[[2-(1-aminobutyl)-1,3-thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 3810868
ethyl 3-(1H-indol-3-yl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]propanoate
CID 21198260
trimethylsilyl 2-amino-3-(1H-indol-3-yl)propanoate
CID 85288956
ethyl 2-(diacetylamino)-3-(1H-indol-3-yl)propanoate
CID 66881182
ethyl 2-[[(2S)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]acetate
CID 58406243

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxylate (CID 10570328) is ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc([C@H](N)Cc2c[nH]c3ccccc23)sc1C(C)C.
What is the InChIKey of ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The InChIKey is RDJMEUHZKOEKSW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-4-24-19(23)16-17(11(2)3)25-18(22-16)14(20)9-12-10-21-15-8-6-5-7-13(12)15/h5-8,10-11,14,21H,4,9,20H2,1-3H3/t14-/m1/s1.
What are the key properties of ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxylate?
ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxylate has a molecular weight of 357.48 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 10570328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).