2,3-dihydroindol-1-yl-[3-(1,3-thiazol-2-yl)phenyl]methanone

C18H14N2OS — CID 110372145

IUPAC2,3-dihydroindol-1-yl-[3-(1,3-thiazol-2-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2nccs2)c1)N1CCc2ccccc21
InChIInChI=1S/C18H14N2OS/c21-18(20-10-8-13-4-1-2-7-16(13)20)15-6-3-5-14(12-15)17-19-9-11-22-17/h1-7,9,11-12H,8,10H2
InChIKeyKFHHKALQEBDIKL-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.01
Rot. Bonds2

About 2,3-dihydroindol-1-yl-[3-(1,3-thiazol-2-yl)phenyl]methanone

2,3-dihydroindol-1-yl-[3-(1,3-thiazol-2-yl)phenyl]methanone (PubChem CID 110372145) has the molecular formula C18H14N2OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[3-(1,3-thiazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[3-(1,3-thiazol-2-yl)phenyl]methanone
PubChem CID110372145
Molecular FormulaC18H14N2OS
Molecular Weight306.39 g/mol
Exact Mass306.08
IUPAC Name2,3-dihydroindol-1-yl-[3-(1,3-thiazol-2-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2nccs2)c1)N1CCc2ccccc21
InChIInChI=1S/C18H14N2OS/c21-18(20-10-8-13-4-1-2-7-16(13)20)15-6-3-5-14(12-15)17-19-9-11-22-17/h1-7,9,11-12H,8,10H2
InChIKeyKFHHKALQEBDIKL-UHFFFAOYSA-N
XLogP4.01
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydroindol-1-yl-[3-(1,3-thiazol-2-yl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372123
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
2,3-dihydroindol-1-yl-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 50778980
3-(2,3-dihydroindole-1-carbonyl)benzaldehyde
CID 90104032
(3-aminothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone
CID 61090033
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 26290520
1-(2,3-dihydroindol-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
CID 110388352
2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone
CID 8778658
[2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109090729
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
5-(2,3-dihydroindole-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 117214703

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[3-(1,3-thiazol-2-yl)phenyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[3-(1,3-thiazol-2-yl)phenyl]methanone (CID 110372145) is 2,3-dihydroindol-1-yl-[3-(1,3-thiazol-2-yl)phenyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[3-(1,3-thiazol-2-yl)phenyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[3-(1,3-thiazol-2-yl)phenyl]methanone is O=C(c1cccc(-c2nccs2)c1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[3-(1,3-thiazol-2-yl)phenyl]methanone?
The InChIKey is KFHHKALQEBDIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OS/c21-18(20-10-8-13-4-1-2-7-16(13)20)15-6-3-5-14(12-15)17-19-9-11-22-17/h1-7,9,11-12H,8,10H2.
What are the key properties of 2,3-dihydroindol-1-yl-[3-(1,3-thiazol-2-yl)phenyl]methanone?
2,3-dihydroindol-1-yl-[3-(1,3-thiazol-2-yl)phenyl]methanone has a molecular weight of 306.39 g/mol, XLogP of 4.01, 2 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-[3-(1,3-thiazol-2-yl)phenyl]methanone is sourced from PubChem (CID 110372145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).