2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carbaldehyde

C20H14N6OS — CID 58094965

IUPAC2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carbaldehyde
SMILESCc1nc2ccc(C=O)cn2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C20H14N6OS/c1-12-17(26-9-13(10-27)7-8-15(26)23-12)20-24-16(14-5-3-2-4-6-14)18(28-20)19-21-11-22-25-19/h2-11H,1H3,(H,21,22,25)
InChIKeyIZJCSSTXTYDEPD-UHFFFAOYSA-N
MW386.44 g/mol
LogP4.03
Rot. Bonds4

About 2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carbaldehyde

2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carbaldehyde (PubChem CID 58094965) has the molecular formula C20H14N6OS and a molecular weight of 386.44 g/mol. Its IUPAC name is 2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carbaldehyde
PubChem CID58094965
Molecular FormulaC20H14N6OS
Molecular Weight386.44 g/mol
Exact Mass386.09
IUPAC Name2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carbaldehyde
SMILESCc1nc2ccc(C=O)cn2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C20H14N6OS/c1-12-17(26-9-13(10-27)7-8-15(26)23-12)20-24-16(14-5-3-2-4-6-14)18(28-20)19-21-11-22-25-19/h2-11H,1H3,(H,21,22,25)
InChIKeyIZJCSSTXTYDEPD-UHFFFAOYSA-N
XLogP4.03
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carbaldehyde?
The IUPAC name of 2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carbaldehyde (CID 58094965) is 2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carbaldehyde?
The canonical SMILES for 2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carbaldehyde is Cc1nc2ccc(C=O)cn2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1.
What is the InChIKey of 2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carbaldehyde?
The InChIKey is IZJCSSTXTYDEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6OS/c1-12-17(26-9-13(10-27)7-8-15(26)23-12)20-24-16(14-5-3-2-4-6-14)18(28-20)19-21-11-22-25-19/h2-11H,1H3,(H,21,22,25).
What are the key properties of 2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carbaldehyde?
2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carbaldehyde has a molecular weight of 386.44 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 58094965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).