(3-aminothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone

C13H12N2OS — CID 61090033

IUPAC(3-aminothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone
SMILESNc1ccsc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C13H12N2OS/c14-10-6-8-17-12(10)13(16)15-7-5-9-3-1-2-4-11(9)15/h1-4,6,8H,5,7,14H2
InChIKeyZUSJVBACTIEHEO-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.53
Rot. Bonds1

About (3-aminothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone

(3-aminothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 61090033) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is (3-aminothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3-aminothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID61090033
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name(3-aminothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone
SMILESNc1ccsc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C13H12N2OS/c14-10-6-8-17-12(10)13(16)15-7-5-9-3-1-2-4-11(9)15/h1-4,6,8H,5,7,14H2
InChIKeyZUSJVBACTIEHEO-UHFFFAOYSA-N
XLogP2.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminothiophen-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 117213470
(4-amino-1,2-thiazol-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 117218797
5-(2,3-dihydroindole-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 117214703
(2-amino-3-fluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 55099809
(7-amino-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone
CID 114455880
(2-amino-5-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16795435
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
(2-amino-1,3-oxazol-4-yl)-(2,3-dihydroindol-1-yl)methanone
CID 110857028
(3,5-difluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4815727
2,3-dihydroindol-1-yl-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372145
2,3-dihydroindol-1-yl(1,3-thiazol-5-yl)methanone
CID 110856972
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(2,3-dihydroindol-1-yl)methanone
CID 23999221

Frequently Asked Questions

What is the IUPAC name of (3-aminothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3-aminothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone (CID 61090033) is (3-aminothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3-aminothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3-aminothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone is Nc1ccsc1C(=O)N1CCc2ccccc21.
What is the InChIKey of (3-aminothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is ZUSJVBACTIEHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c14-10-6-8-17-12(10)13(16)15-7-5-9-3-1-2-4-11(9)15/h1-4,6,8H,5,7,14H2.
What are the key properties of (3-aminothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone?
(3-aminothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 244.32 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 61090033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).