2-[2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)-1-(1,3-thiazol-2-yl)imidazol-4-yl]-1,3-thiazole

C22H14N6S2 — CID 25031194

IUPAC2-[2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)-1-(1,3-thiazol-2-yl)imidazol-4-yl]-1,3-thiazole
SMILESc1cnc2c(c1)ccn2-c1ccc(-c2nc(-c3nccs3)cn2-c2nccs2)cc1
InChIInChI=1S/C22H14N6S2/c1-2-15-7-11-27(19(15)23-8-1)17-5-3-16(4-6-17)20-26-18(21-24-9-12-29-21)14-28(20)22-25-10-13-30-22/h1-14H
InChIKeySVLAZBYSCKKKOB-UHFFFAOYSA-N
MW426.53 g/mol
LogP5.46
Rot. Bonds4

About 2-[2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)-1-(1,3-thiazol-2-yl)imidazol-4-yl]-1,3-thiazole

2-[2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)-1-(1,3-thiazol-2-yl)imidazol-4-yl]-1,3-thiazole (PubChem CID 25031194) has the molecular formula C22H14N6S2 and a molecular weight of 426.53 g/mol. Its IUPAC name is 2-[2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)-1-(1,3-thiazol-2-yl)imidazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)-1-(1,3-thiazol-2-yl)imidazol-4-yl]-1,3-thiazole
PubChem CID25031194
Molecular FormulaC22H14N6S2
Molecular Weight426.53 g/mol
Exact Mass426.07
IUPAC Name2-[2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)-1-(1,3-thiazol-2-yl)imidazol-4-yl]-1,3-thiazole
SMILESc1cnc2c(c1)ccn2-c1ccc(-c2nc(-c3nccs3)cn2-c2nccs2)cc1
InChIInChI=1S/C22H14N6S2/c1-2-15-7-11-27(19(15)23-8-1)17-5-3-16(4-6-17)20-26-18(21-24-9-12-29-21)14-28(20)22-25-10-13-30-22/h1-14H
InChIKeySVLAZBYSCKKKOB-UHFFFAOYSA-N
XLogP5.46
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.53
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)-1-(1,3-thiazol-2-yl)imidazol-4-yl]-1,3-thiazole?
The IUPAC name of 2-[2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)-1-(1,3-thiazol-2-yl)imidazol-4-yl]-1,3-thiazole (CID 25031194) is 2-[2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)-1-(1,3-thiazol-2-yl)imidazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)-1-(1,3-thiazol-2-yl)imidazol-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)-1-(1,3-thiazol-2-yl)imidazol-4-yl]-1,3-thiazole is c1cnc2c(c1)ccn2-c1ccc(-c2nc(-c3nccs3)cn2-c2nccs2)cc1.
What is the InChIKey of 2-[2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)-1-(1,3-thiazol-2-yl)imidazol-4-yl]-1,3-thiazole?
The InChIKey is SVLAZBYSCKKKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N6S2/c1-2-15-7-11-27(19(15)23-8-1)17-5-3-16(4-6-17)20-26-18(21-24-9-12-29-21)14-28(20)22-25-10-13-30-22/h1-14H.
What are the key properties of 2-[2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)-1-(1,3-thiazol-2-yl)imidazol-4-yl]-1,3-thiazole?
2-[2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)-1-(1,3-thiazol-2-yl)imidazol-4-yl]-1,3-thiazole has a molecular weight of 426.53 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)-1-(1,3-thiazol-2-yl)imidazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 25031194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).