[2-(4-methylphenyl)-1,3-thiazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone

C19H15N3O3S — CID 55483874

IUPAC[2-(4-methylphenyl)-1,3-thiazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
SMILESCc1ccc(-c2nc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)cs2)cc1
InChIInChI=1S/C19H15N3O3S/c1-12-2-4-14(5-3-12)18-20-16(11-26-18)19(23)21-9-8-13-6-7-15(22(24)25)10-17(13)21/h2-7,10-11H,8-9H2,1H3
InChIKeyPPPPICYVIGFDHS-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.23
Rot. Bonds3

About [2-(4-methylphenyl)-1,3-thiazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone

[2-(4-methylphenyl)-1,3-thiazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone (PubChem CID 55483874) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is [2-(4-methylphenyl)-1,3-thiazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-methylphenyl)-1,3-thiazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
PubChem CID55483874
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name[2-(4-methylphenyl)-1,3-thiazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
SMILESCc1ccc(-c2nc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)cs2)cc1
InChIInChI=1S/C19H15N3O3S/c1-12-2-4-14(5-3-12)18-20-16(11-26-18)19(23)21-9-8-13-6-7-15(22(24)25)10-17(13)21/h2-7,10-11H,8-9H2,1H3
InChIKeyPPPPICYVIGFDHS-UHFFFAOYSA-N
XLogP4.23
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 55483309
1-(6-nitro-2,3-dihydroindol-1-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
CID 37160835
(3,4-dimethylphenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 51711520
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone
CID 99716081
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 55607817
furan-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 110287360
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 37159430
(3-methylpiperazin-1-yl)-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methanone
CID 119579002
[2-(dimethylamino)-3-pyridinyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 110306395
[2-(4-methylphenyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
CID 17474442
(2-methylphenyl)-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110291907
1-[2,4-dimethyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 37163175

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-1,3-thiazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [2-(4-methylphenyl)-1,3-thiazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone (CID 55483874) is [2-(4-methylphenyl)-1,3-thiazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [2-(4-methylphenyl)-1,3-thiazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [2-(4-methylphenyl)-1,3-thiazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone is Cc1ccc(-c2nc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)cs2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-1,3-thiazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is PPPPICYVIGFDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-12-2-4-14(5-3-12)18-20-16(11-26-18)19(23)21-9-8-13-6-7-15(22(24)25)10-17(13)21/h2-7,10-11H,8-9H2,1H3.
What are the key properties of [2-(4-methylphenyl)-1,3-thiazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone?
[2-(4-methylphenyl)-1,3-thiazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 365.41 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-1,3-thiazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 55483874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).