2-(5-methyl-2-pyridinyl)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3H-isoindol-1-one

C18H16N4OS — CID 20855027

IUPAC2-(5-methyl-2-pyridinyl)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3H-isoindol-1-one
SMILESCc1ccc(N2C(=O)c3ccccc3C2Nc2nc(C)cs2)nc1
InChIInChI=1S/C18H16N4OS/c1-11-7-8-15(19-9-11)22-16(21-18-20-12(2)10-24-18)13-5-3-4-6-14(13)17(22)23/h3-10,16H,1-2H3,(H,20,21)
InChIKeyYBALQYPPHBEBBQ-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.93
Rot. Bonds3

About 2-(5-methyl-2-pyridinyl)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3H-isoindol-1-one

2-(5-methyl-2-pyridinyl)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3H-isoindol-1-one (PubChem CID 20855027) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-(5-methyl-2-pyridinyl)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(5-methyl-2-pyridinyl)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3H-isoindol-1-one
PubChem CID20855027
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name2-(5-methyl-2-pyridinyl)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3H-isoindol-1-one
SMILESCc1ccc(N2C(=O)c3ccccc3C2Nc2nc(C)cs2)nc1
InChIInChI=1S/C18H16N4OS/c1-11-7-8-15(19-9-11)22-16(21-18-20-12(2)10-24-18)13-5-3-4-6-14(13)17(22)23/h3-10,16H,1-2H3,(H,20,21)
InChIKeyYBALQYPPHBEBBQ-UHFFFAOYSA-N
XLogP3.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-methyl-2-pyridinyl)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3H-isoindol-1-one with MolForge

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Related Compounds

Tak-715
CID 9952773
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3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
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N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
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N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
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1-[4-(3-Methylbutyl)-5-Oxo-6-(Pyridin-3-Yl)-4,5-Dihydro[1,3]thiazolo[5,4-B]pyridin-2-Yl]-3-Prop-2-En-1-Ylurea
CID 71816193
2-Fluoro-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]benzamide
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(18F)Fitm
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(3-fluorophenyl)-[(1S,5R)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 49862157
2-phenyl-1-[(1R,5S)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 49862200

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-pyridinyl)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3H-isoindol-1-one?
The IUPAC name of 2-(5-methyl-2-pyridinyl)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3H-isoindol-1-one (CID 20855027) is 2-(5-methyl-2-pyridinyl)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3H-isoindol-1-one.
What is the SMILES notation for 2-(5-methyl-2-pyridinyl)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3H-isoindol-1-one?
The canonical SMILES for 2-(5-methyl-2-pyridinyl)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3H-isoindol-1-one is Cc1ccc(N2C(=O)c3ccccc3C2Nc2nc(C)cs2)nc1.
What is the InChIKey of 2-(5-methyl-2-pyridinyl)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3H-isoindol-1-one?
The InChIKey is YBALQYPPHBEBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-11-7-8-15(19-9-11)22-16(21-18-20-12(2)10-24-18)13-5-3-4-6-14(13)17(22)23/h3-10,16H,1-2H3,(H,20,21).
What are the key properties of 2-(5-methyl-2-pyridinyl)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3H-isoindol-1-one?
2-(5-methyl-2-pyridinyl)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3H-isoindol-1-one has a molecular weight of 336.42 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-pyridinyl)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3H-isoindol-1-one is sourced from PubChem (CID 20855027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).