N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-dimethylpyrazol-4-amine

C13H15N3O2S — CID 102804742

IUPACN-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)cc1NC1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C13H15N3O2S/c1-9-11(7-16(2)15-9)14-12-8-19(17,18)13-6-4-3-5-10(12)13/h3-7,12,14H,8H2,1-2H3
InChIKeyIQTZTFMGMNESLS-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.67
Rot. Bonds2

About N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-dimethylpyrazol-4-amine

N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-dimethylpyrazol-4-amine (PubChem CID 102804742) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-dimethylpyrazol-4-amine
PubChem CID102804742
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)cc1NC1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C13H15N3O2S/c1-9-11(7-16(2)15-9)14-12-8-19(17,18)13-6-4-3-5-10(12)13/h3-7,12,14H,8H2,1-2H3
InChIKeyIQTZTFMGMNESLS-UHFFFAOYSA-N
XLogP1.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1,3-dimethylpyrazol-4-amine
CID 104955857
N-[3-(2-fluorophenyl)cyclobutyl]-1,3-dimethylpyrazol-4-amine
CID 104956005
N-[(1-methylpyrazol-4-yl)methyl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 61348494
N-[2-(1-methylpyrazol-4-yl)ethyl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 80682562
N-(2,6-dichlorophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 65467625
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 75506023
3-[(1,3-dimethylpyrazol-4-yl)amino]-1-phenylpyrrolidine-2,5-dione
CID 102804739
N-(4-fluorophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522853
N-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522812
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
CID 139011651
1,3-dimethyl-N-(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrazol-4-amine
CID 104955892
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazol-2-amine
CID 43522817

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-dimethylpyrazol-4-amine?
The IUPAC name of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-dimethylpyrazol-4-amine (CID 102804742) is N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-dimethylpyrazol-4-amine is Cc1nn(C)cc1NC1CS(=O)(=O)c2ccccc21.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-dimethylpyrazol-4-amine?
The InChIKey is IQTZTFMGMNESLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-11(7-16(2)15-9)14-12-8-19(17,18)13-6-4-3-5-10(12)13/h3-7,12,14H,8H2,1-2H3.
What are the key properties of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-dimethylpyrazol-4-amine?
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-dimethylpyrazol-4-amine has a molecular weight of 277.35 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 102804742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).