N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide

C19H14N4O3S — CID 2976916

IUPACN-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
SMILESCc1cnc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)s1
InChIInChI=1S/C19H14N4O3S/c1-11-8-21-19(27-11)22-16(24)13-4-5-14-15(7-13)18(26)23(17(14)25)10-12-3-2-6-20-9-12/h2-9H,10H2,1H3,(H,21,22,24)
InChIKeyKMLHFKDCYSRERB-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.90
Rot. Bonds4

About N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide (PubChem CID 2976916) has the molecular formula C19H14N4O3S and a molecular weight of 378.41 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
PubChem CID2976916
Molecular FormulaC19H14N4O3S
Molecular Weight378.41 g/mol
Exact Mass378.08
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
SMILESCc1cnc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)s1
InChIInChI=1S/C19H14N4O3S/c1-11-8-21-19(27-11)22-16(24)13-4-5-14-15(7-13)18(26)23(17(14)25)10-12-3-2-6-20-9-12/h2-9H,10H2,1H3,(H,21,22,24)
InChIKeyKMLHFKDCYSRERB-UHFFFAOYSA-N
XLogP2.90
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide (CID 2976916) is N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide is Cc1cnc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide?
The InChIKey is KMLHFKDCYSRERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S/c1-11-8-21-19(27-11)22-16(24)13-4-5-14-15(7-13)18(26)23(17(14)25)10-12-3-2-6-20-9-12/h2-9H,10H2,1H3,(H,21,22,24).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide is sourced from PubChem (CID 2976916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).