ethyl 2-[2-[[(3S)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate

C19H19N5O4S — CID 99754268

IUPACethyl 2-[2-[[(3S)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)n1
InChIInChI=1S/C19H19N5O4S/c1-2-28-16(26)8-12-10-29-19(20-12)21-18(27)11-7-15(25)24(9-11)17-13-5-3-4-6-14(13)22-23-17/h3-6,10-11H,2,7-9H2,1H3,(H,22,23)(H,20,21,27)/t11-/m0/s1
InChIKeyJUIQFEXDABNZPK-NSHDSACASA-N
MW413.46 g/mol
LogP2.12
Rot. Bonds6

About ethyl 2-[2-[[(3S)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[(3S)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 99754268) has the molecular formula C19H19N5O4S and a molecular weight of 413.46 g/mol. Its IUPAC name is ethyl 2-[2-[[(3S)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[(3S)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID99754268
Molecular FormulaC19H19N5O4S
Molecular Weight413.46 g/mol
Exact Mass413.12
IUPAC Nameethyl 2-[2-[[(3S)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)n1
InChIInChI=1S/C19H19N5O4S/c1-2-28-16(26)8-12-10-29-19(20-12)21-18(27)11-7-15(25)24(9-11)17-13-5-3-4-6-14(13)22-23-17/h3-6,10-11H,2,7-9H2,1H3,(H,22,23)(H,20,21,27)/t11-/m0/s1
InChIKeyJUIQFEXDABNZPK-NSHDSACASA-N
XLogP2.12
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[[(3S)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[[(3S)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 99754212
N-(2-ethylphenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 75465831
ethyl 2-[2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 16602610
(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754255
(3R)-1-(1H-indazol-3-yl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 97264841
(3S)-1-(1H-indazol-3-yl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 99754260
ethyl 2-[2-[[(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 9365290
1-(1H-indazol-3-yl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 71701607
N-(4-chlorophenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 75465842
1-(4-fluoro-1H-indazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 90489292
(3S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 124855184
(3S)-1-(1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97265093

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[(3S)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[(3S)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate (CID 99754268) is ethyl 2-[2-[[(3S)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[(3S)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[(3S)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)n1.
What is the InChIKey of ethyl 2-[2-[[(3S)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is JUIQFEXDABNZPK-NSHDSACASA-N. The full InChI is InChI=1S/C19H19N5O4S/c1-2-28-16(26)8-12-10-29-19(20-12)21-18(27)11-7-15(25)24(9-11)17-13-5-3-4-6-14(13)22-23-17/h3-6,10-11H,2,7-9H2,1H3,(H,22,23)(H,20,21,27)/t11-/m0/s1.
What are the key properties of ethyl 2-[2-[[(3S)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[(3S)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 413.46 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[(3S)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 99754268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).