2-(4-methyl-2-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide

C19H14N4O3S — CID 17361656

IUPAC2-(4-methyl-2-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccnc(N2C(=O)c3ccc(C(=O)Nc4nc(C)cs4)cc3C2=O)c1
InChIInChI=1S/C19H14N4O3S/c1-10-5-6-20-15(7-10)23-17(25)13-4-3-12(8-14(13)18(23)26)16(24)22-19-21-11(2)9-27-19/h3-9H,1-2H3,(H,21,22,24)
InChIKeyIONSUMMIWPLLQP-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.21
Rot. Bonds3

About 2-(4-methyl-2-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide

2-(4-methyl-2-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 17361656) has the molecular formula C19H14N4O3S and a molecular weight of 378.41 g/mol. Its IUPAC name is 2-(4-methyl-2-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(4-methyl-2-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID17361656
Molecular FormulaC19H14N4O3S
Molecular Weight378.41 g/mol
Exact Mass378.08
IUPAC Name2-(4-methyl-2-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccnc(N2C(=O)c3ccc(C(=O)Nc4nc(C)cs4)cc3C2=O)c1
InChIInChI=1S/C19H14N4O3S/c1-10-5-6-20-15(7-10)23-17(25)13-4-3-12(8-14(13)18(23)26)16(24)22-19-21-11(2)9-27-19/h3-9H,1-2H3,(H,21,22,24)
InChIKeyIONSUMMIWPLLQP-UHFFFAOYSA-N
XLogP3.21
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 17361614
N-(2-chlorophenyl)-2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide
CID 17360966
N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(4-phenyldiazenylphenyl)isoindole-5-carboxamide
CID 17361625
N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
CID 9095875
2-(2,5-dimethylphenyl)-1,3-dioxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]isoindole-5-carboxamide
CID 16550154
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
2-(2,4-dimethylphenyl)-1,3-dioxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 108764600
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361609
3-methoxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17425685
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 885062
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 47106736

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(4-methyl-2-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide (CID 17361656) is 2-(4-methyl-2-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(4-methyl-2-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(4-methyl-2-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide is Cc1ccnc(N2C(=O)c3ccc(C(=O)Nc4nc(C)cs4)cc3C2=O)c1.
What is the InChIKey of 2-(4-methyl-2-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is IONSUMMIWPLLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S/c1-10-5-6-20-15(7-10)23-17(25)13-4-3-12(8-14(13)18(23)26)16(24)22-19-21-11(2)9-27-19/h3-9H,1-2H3,(H,21,22,24).
What are the key properties of 2-(4-methyl-2-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide?
2-(4-methyl-2-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 17361656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).