N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide

C20H16N2O3S — CID 24569739

IUPACN-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H16N2O3S/c23-19(15-5-4-12-2-1-3-13(12)8-15)22-20-21-16(10-26-20)14-6-7-17-18(9-14)25-11-24-17/h4-10H,1-3,11H2,(H,21,22,23)
InChIKeyFGLSEZKDLHAZKH-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.28
Rot. Bonds3

About N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 24569739) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID24569739
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC NameN-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H16N2O3S/c23-19(15-5-4-12-2-1-3-13(12)8-15)22-20-21-16(10-26-20)14-6-7-17-18(9-14)25-11-24-17/h4-10H,1-3,11H2,(H,21,22,23)
InChIKeyFGLSEZKDLHAZKH-UHFFFAOYSA-N
XLogP4.28
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide
CID 7266948
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide
CID 18127706
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-pyrrol-1-ylbenzamide
CID 24569753
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide
CID 5080818
4-(2-amino-2-oxoethoxy)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 17433671
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 55699318
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-bromothiophene-2-carboxamide
CID 5080929
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 24569835
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 8504539
(2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 41364782
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 861896
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 5078393

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide (CID 24569739) is N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide is O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is FGLSEZKDLHAZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c23-19(15-5-4-12-2-1-3-13(12)8-15)22-20-21-16(10-26-20)14-6-7-17-18(9-14)25-11-24-17/h4-10H,1-3,11H2,(H,21,22,23).
What are the key properties of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 24569739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).