2-[6-(1-acetyl-2,3-dihydroindol-5-yl)-5-ethylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid

C19H19N3O3S — CID 82035764

IUPAC2-[6-(1-acetyl-2,3-dihydroindol-5-yl)-5-ethylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
SMILESCCc1c(-c2ccc3c(c2)CCN3C(C)=O)nc2scc(CC(=O)O)n12
InChIInChI=1S/C19H19N3O3S/c1-3-15-18(20-19-22(15)14(10-26-19)9-17(24)25)13-4-5-16-12(8-13)6-7-21(16)11(2)23/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,24,25)
InChIKeyIAFWLWIJIFCXQU-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.16
Rot. Bonds4

About 2-[6-(1-acetyl-2,3-dihydroindol-5-yl)-5-ethylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid

2-[6-(1-acetyl-2,3-dihydroindol-5-yl)-5-ethylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid (PubChem CID 82035764) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-[6-(1-acetyl-2,3-dihydroindol-5-yl)-5-ethylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(1-acetyl-2,3-dihydroindol-5-yl)-5-ethylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
PubChem CID82035764
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-[6-(1-acetyl-2,3-dihydroindol-5-yl)-5-ethylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
SMILESCCc1c(-c2ccc3c(c2)CCN3C(C)=O)nc2scc(CC(=O)O)n12
InChIInChI=1S/C19H19N3O3S/c1-3-15-18(20-19-22(15)14(10-26-19)9-17(24)25)13-4-5-16-12(8-13)6-7-21(16)11(2)23/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,24,25)
InChIKeyIAFWLWIJIFCXQU-UHFFFAOYSA-N
XLogP3.16
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-(1-acetyl-2,3-dihydroindol-5-yl)-5-ethylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid with MolForge

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Related Compounds

2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062351
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one
CID 82540699
2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid
CID 129145060
1-[5-[2-(4-hydroxyphenyl)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]ethanone
CID 135876242
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
CID 82540698
ethyl 2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoacetate
CID 43816449
3,5-diethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035242
1-[5-[5-methyl-2-(prop-2-enylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]ethanone
CID 17453132
2-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 1458890
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 35805869
2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid
CID 20618502
N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 1458252

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-acetyl-2,3-dihydroindol-5-yl)-5-ethylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid?
The IUPAC name of 2-[6-(1-acetyl-2,3-dihydroindol-5-yl)-5-ethylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid (CID 82035764) is 2-[6-(1-acetyl-2,3-dihydroindol-5-yl)-5-ethylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[6-(1-acetyl-2,3-dihydroindol-5-yl)-5-ethylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid?
The canonical SMILES for 2-[6-(1-acetyl-2,3-dihydroindol-5-yl)-5-ethylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid is CCc1c(-c2ccc3c(c2)CCN3C(C)=O)nc2scc(CC(=O)O)n12.
What is the InChIKey of 2-[6-(1-acetyl-2,3-dihydroindol-5-yl)-5-ethylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid?
The InChIKey is IAFWLWIJIFCXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-3-15-18(20-19-22(15)14(10-26-19)9-17(24)25)13-4-5-16-12(8-13)6-7-21(16)11(2)23/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,24,25).
What are the key properties of 2-[6-(1-acetyl-2,3-dihydroindol-5-yl)-5-ethylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid?
2-[6-(1-acetyl-2,3-dihydroindol-5-yl)-5-ethylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid has a molecular weight of 369.45 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-acetyl-2,3-dihydroindol-5-yl)-5-ethylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid is sourced from PubChem (CID 82035764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).