(2-methyl-2,3-dihydroindol-1-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone

C19H18N4OS — CID 90509998

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone
SMILESCc1cccc(Nc2nc(C(=O)N3c4ccccc4CC3C)cs2)n1
InChIInChI=1S/C19H18N4OS/c1-12-6-5-9-17(20-12)22-19-21-15(11-25-19)18(24)23-13(2)10-14-7-3-4-8-16(14)23/h3-9,11,13H,10H2,1-2H3,(H,20,21,22)
InChIKeyMILCBFSGXOJLNK-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.18
Rot. Bonds3

About (2-methyl-2,3-dihydroindol-1-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone

(2-methyl-2,3-dihydroindol-1-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone (PubChem CID 90509998) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone
PubChem CID90509998
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone
SMILESCc1cccc(Nc2nc(C(=O)N3c4ccccc4CC3C)cs2)n1
InChIInChI=1S/C19H18N4OS/c1-12-6-5-9-17(20-12)22-19-21-15(11-25-19)18(24)23-13(2)10-14-7-3-4-8-16(14)23/h3-9,11,13H,10H2,1-2H3,(H,20,21,22)
InChIKeyMILCBFSGXOJLNK-UHFFFAOYSA-N
XLogP4.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-methyl-2,3-dihydroindol-1-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone with MolForge

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Related Compounds

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 124515126
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 93240954
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone
CID 110863859
ethyl 1-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 90509948
ethyl 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 52903989
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone
CID 90509959
[6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 112850083
[5-(methylamino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 107374043
(5-anilino-2-pyridinyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109197131
[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109336761
N-(2,6-dimethylphenyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
CID 95089844
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone
CID 90509931

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone (CID 90509998) is (2-methyl-2,3-dihydroindol-1-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone is Cc1cccc(Nc2nc(C(=O)N3c4ccccc4CC3C)cs2)n1.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone?
The InChIKey is MILCBFSGXOJLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-12-6-5-9-17(20-12)22-19-21-15(11-25-19)18(24)23-13(2)10-14-7-3-4-8-16(14)23/h3-9,11,13H,10H2,1-2H3,(H,20,21,22).
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone?
(2-methyl-2,3-dihydroindol-1-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone has a molecular weight of 350.45 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydroindol-1-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 90509998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).