(4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-acetyl-2,3-dihydroindole-5-carboxylate

C17H18N2O3S — CID 71869332

IUPAC(4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-acetyl-2,3-dihydroindole-5-carboxylate
SMILESCC(=O)N1CCc2cc(C(=O)OCc3nc(C)c(C)s3)ccc21
InChIInChI=1S/C17H18N2O3S/c1-10-11(2)23-16(18-10)9-22-17(21)14-4-5-15-13(8-14)6-7-19(15)12(3)20/h4-5,8H,6-7,9H2,1-3H3
InChIKeyGOHLGIYOVAPGGM-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.03
Rot. Bonds3

About (4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-acetyl-2,3-dihydroindole-5-carboxylate

(4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-acetyl-2,3-dihydroindole-5-carboxylate (PubChem CID 71869332) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is (4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-acetyl-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Name(4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-acetyl-2,3-dihydroindole-5-carboxylate
PubChem CID71869332
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name(4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-acetyl-2,3-dihydroindole-5-carboxylate
SMILESCC(=O)N1CCc2cc(C(=O)OCc3nc(C)c(C)s3)ccc21
InChIInChI=1S/C17H18N2O3S/c1-10-11(2)23-16(18-10)9-22-17(21)14-4-5-15-13(8-14)6-7-19(15)12(3)20/h4-5,8H,6-7,9H2,1-3H3
InChIKeyGOHLGIYOVAPGGM-UHFFFAOYSA-N
XLogP3.03
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide
CID 43048030
1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide
CID 119259829
ethyl 2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoacetate
CID 43816449
1-acetyl-N-(2,4,6-trimethyl-3-pyridinyl)-2,3-dihydroindole-5-carboxamide
CID 78859744
methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate
CID 82347038
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 42896932
(1-methylpyrazol-4-yl)methyl 1-propanoyl-2,3-dihydroindole-5-carboxylate
CID 47065445
1-[5-[2-(4-hydroxyphenyl)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]ethanone
CID 135876242
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate
CID 46645192
(4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-ethylpyrazole-4-carboxylate
CID 71987625
1-acetyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-2,3-dihydroindole-5-carboxamide
CID 30587992

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-acetyl-2,3-dihydroindole-5-carboxylate?
The IUPAC name of (4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-acetyl-2,3-dihydroindole-5-carboxylate (CID 71869332) is (4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-acetyl-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for (4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-acetyl-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for (4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-acetyl-2,3-dihydroindole-5-carboxylate is CC(=O)N1CCc2cc(C(=O)OCc3nc(C)c(C)s3)ccc21.
What is the InChIKey of (4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-acetyl-2,3-dihydroindole-5-carboxylate?
The InChIKey is GOHLGIYOVAPGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-10-11(2)23-16(18-10)9-22-17(21)14-4-5-15-13(8-14)6-7-19(15)12(3)20/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of (4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-acetyl-2,3-dihydroindole-5-carboxylate?
(4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-acetyl-2,3-dihydroindole-5-carboxylate has a molecular weight of 330.41 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-acetyl-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 71869332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).