methyl (2S)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-2-carboxylate

C20H17N3O3S — CID 95239854

IUPACmethyl (2S)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-2-carboxylate
SMILESCOC(=O)[C@@H]1Cc2ccccc2N1C(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C20H17N3O3S/c1-26-20(25)17-10-13-6-2-3-8-16(13)23(17)18(24)11-14-12-27-19(22-14)15-7-4-5-9-21-15/h2-9,12,17H,10-11H2,1H3/t17-/m0/s1
InChIKeyGJYXUQHRNAGQJJ-KRWDZBQOSA-N
MW379.44 g/mol
LogP2.88
Rot. Bonds4

About methyl (2S)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-2-carboxylate

methyl (2S)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-2-carboxylate (PubChem CID 95239854) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is methyl (2S)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-2-carboxylate
PubChem CID95239854
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Namemethyl (2S)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-2-carboxylate
SMILESCOC(=O)[C@@H]1Cc2ccccc2N1C(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C20H17N3O3S/c1-26-20(25)17-10-13-6-2-3-8-16(13)23(17)18(24)11-14-12-27-19(22-14)15-7-4-5-9-21-15/h2-9,12,17H,10-11H2,1H3/t17-/m0/s1
InChIKeyGJYXUQHRNAGQJJ-KRWDZBQOSA-N
XLogP2.88
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-2-carboxylate with MolForge

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Related Compounds

N-(4-methylphenyl)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-2-carboxamide
CID 47093060
(2R)-N-(4-methylphenyl)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-2-carboxamide
CID 52506946
methyl 1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 55513102
methyl (2R)-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate
CID 71861442
methyl (2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylate;hydrate
CID 86585807
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 38749299
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 29452795
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 39080997
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 39080998
methyl (2R)-1-[2-(4-bromophenoxy)acetyl]-2,3-dihydroindole-2-carboxylate
CID 52504702
1-morpholin-4-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 33236750
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-2-carboxylate?
The IUPAC name of methyl (2S)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-2-carboxylate (CID 95239854) is methyl (2S)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-2-carboxylate?
The canonical SMILES for methyl (2S)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-2-carboxylate is COC(=O)[C@@H]1Cc2ccccc2N1C(=O)Cc1csc(-c2ccccn2)n1.
What is the InChIKey of methyl (2S)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-2-carboxylate?
The InChIKey is GJYXUQHRNAGQJJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-26-20(25)17-10-13-6-2-3-8-16(13)23(17)18(24)11-14-12-27-19(22-14)15-7-4-5-9-21-15/h2-9,12,17H,10-11H2,1H3/t17-/m0/s1.
What are the key properties of methyl (2S)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-2-carboxylate?
methyl (2S)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-2-carboxylate has a molecular weight of 379.44 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-2-carboxylate is sourced from PubChem (CID 95239854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).