methyl 5-acetyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-4-carboxylate

C15H14N2O3S — CID 106696904

IUPACmethyl 5-acetyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N2CCc3ccccc32)sc1C(C)=O
InChIInChI=1S/C15H14N2O3S/c1-9(18)13-12(14(19)20-2)16-15(21-13)17-8-7-10-5-3-4-6-11(10)17/h3-6H,7-8H2,1-2H3
InChIKeyJIJYXBOVPZFMMA-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.83
Rot. Bonds3

About methyl 5-acetyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-4-carboxylate

methyl 5-acetyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-4-carboxylate (PubChem CID 106696904) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is methyl 5-acetyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-4-carboxylate
PubChem CID106696904
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Namemethyl 5-acetyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N2CCc3ccccc32)sc1C(C)=O
InChIInChI=1S/C15H14N2O3S/c1-9(18)13-12(14(19)20-2)16-15(21-13)17-8-7-10-5-3-4-6-11(10)17/h3-6H,7-8H2,1-2H3
InChIKeyJIJYXBOVPZFMMA-UHFFFAOYSA-N
XLogP2.83
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-5-carboxylic acid
CID 80688286
methyl 5-acetyl-2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate
CID 106697758
methyl 4-(2,3-dihydroindol-1-yl)-3-nitrobenzoate
CID 23961339
1-[4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanone
CID 63776455
methyl 4-amino-3-(2,3-dihydroindol-1-yl)benzoate
CID 82785876
methyl 5-acetyl-2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate
CID 106697412
methyl 5-acetyl-2-(2,2-dimethylthiomorpholin-4-yl)-1,3-thiazole-4-carboxylate
CID 106698135
methyl 5-acetyl-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazole-4-carboxylate
CID 106697647
methyl 5-acetyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxylate
CID 106696597
2-(3,4-dihydro-2H-quinolin-1-yl)-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide
CID 58121041
methyl 5-acetyl-2-(7,7-dimethyl-1,4-thiazepan-4-yl)-1,3-thiazole-4-carboxylate
CID 107460118
methyl 5-acetyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole-4-carboxylate
CID 106697820

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-acetyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-4-carboxylate (CID 106696904) is methyl 5-acetyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-acetyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-acetyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(N2CCc3ccccc32)sc1C(C)=O.
What is the InChIKey of methyl 5-acetyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is JIJYXBOVPZFMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-9(18)13-12(14(19)20-2)16-15(21-13)17-8-7-10-5-3-4-6-11(10)17/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl 5-acetyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-4-carboxylate?
methyl 5-acetyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 302.36 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106696904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).