2-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboxamide

C20H19N3OS — CID 60551252

IUPAC2-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H19N3OS/c1-14-11-16-9-5-6-10-18(16)23(14)20(24)21-12-19-22-17(13-25-19)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,21,24)
InChIKeyZBZCPNWUQRESHC-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.47
Rot. Bonds3

About 2-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboxamide

2-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 60551252) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboxamide
PubChem CID60551252
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name2-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H19N3OS/c1-14-11-16-9-5-6-10-18(16)23(14)20(24)21-12-19-22-17(13-25-19)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,21,24)
InChIKeyZBZCPNWUQRESHC-UHFFFAOYSA-N
XLogP4.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 110901412
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 110484549
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole-1-carboxamide
CID 136577432
N-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110301242
N-[(3-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 60605582
N-[(4-ethoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108884531
(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 126436597
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 94024655
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 124515126
3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 119072353
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 111755095
4-methyl-5-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid
CID 82014555

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 2-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboxamide (CID 60551252) is 2-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 2-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboxamide is CC1Cc2ccccc2N1C(=O)NCc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is ZBZCPNWUQRESHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-14-11-16-9-5-6-10-18(16)23(14)20(24)21-12-19-22-17(13-25-19)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,21,24).
What are the key properties of 2-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboxamide?
2-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 60551252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).