2,3-dihydroindol-1-yl(1,3-thiazol-5-yl)methanone

C12H10N2OS — CID 110856972

IUPAC2,3-dihydroindol-1-yl(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CCc2ccccc21
InChIInChI=1S/C12H10N2OS/c15-12(11-7-13-8-16-11)14-6-5-9-3-1-2-4-10(9)14/h1-4,7-8H,5-6H2
InChIKeyRKBVXCGGYXHJIC-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.35
Rot. Bonds1

About 2,3-dihydroindol-1-yl(1,3-thiazol-5-yl)methanone

2,3-dihydroindol-1-yl(1,3-thiazol-5-yl)methanone (PubChem CID 110856972) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl(1,3-thiazol-5-yl)methanone
PubChem CID110856972
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name2,3-dihydroindol-1-yl(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CCc2ccccc21
InChIInChI=1S/C12H10N2OS/c15-12(11-7-13-8-16-11)14-6-5-9-3-1-2-4-10(9)14/h1-4,7-8H,5-6H2
InChIKeyRKBVXCGGYXHJIC-UHFFFAOYSA-N
XLogP2.35
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3-dihydroindole-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 117214703
(2-aminothiophen-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 117213470
(2-methyl-2,3-dihydroindol-1-yl)-(1,3-thiazol-5-yl)methanone
CID 110863849
(4-amino-1,2-thiazol-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 117218797
(3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 66462242
(3-aminothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone
CID 61090033
2,3-dihydroindol-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642375
bromo 2,3-dihydroindole-1-carboxylate
CID 140683815
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-[4-[5-(2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 109254794
(3,5-difluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4815727
2,3-dihydroindol-1-yl-(2-pyrrolidin-1-ylphenyl)methanone
CID 168513032

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl(1,3-thiazol-5-yl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl(1,3-thiazol-5-yl)methanone (CID 110856972) is 2,3-dihydroindol-1-yl(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl(1,3-thiazol-5-yl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl(1,3-thiazol-5-yl)methanone is O=C(c1cncs1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl(1,3-thiazol-5-yl)methanone?
The InChIKey is RKBVXCGGYXHJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c15-12(11-7-13-8-16-11)14-6-5-9-3-1-2-4-10(9)14/h1-4,7-8H,5-6H2.
What are the key properties of 2,3-dihydroindol-1-yl(1,3-thiazol-5-yl)methanone?
2,3-dihydroindol-1-yl(1,3-thiazol-5-yl)methanone has a molecular weight of 230.29 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 110856972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).