2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole

C24H21BrN6OS — CID 58094803

IUPAC2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole
SMILESCc1nc2ccc(Br)cn2c1-c1nc(-c2ccccc2)c(-c2ncn(C3CCCCO3)n2)s1
InChIInChI=1S/C24H21BrN6OS/c1-15-21(30-13-17(25)10-11-18(30)27-15)24-28-20(16-7-3-2-4-8-16)22(33-24)23-26-14-31(29-23)19-9-5-6-12-32-19/h2-4,7-8,10-11,13-14,19H,5-6,9,12H2,1H3
InChIKeyKVEUKQQSMPQFKZ-UHFFFAOYSA-N
MW521.44 g/mol
LogP6.15
Rot. Bonds4

About 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole

2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole (PubChem CID 58094803) has the molecular formula C24H21BrN6OS and a molecular weight of 521.44 g/mol. Its IUPAC name is 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole
PubChem CID58094803
Molecular FormulaC24H21BrN6OS
Molecular Weight521.44 g/mol
Exact Mass520.07
IUPAC Name2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole
SMILESCc1nc2ccc(Br)cn2c1-c1nc(-c2ccccc2)c(-c2ncn(C3CCCCO3)n2)s1
InChIInChI=1S/C24H21BrN6OS/c1-15-21(30-13-17(25)10-11-18(30)27-15)24-28-20(16-7-3-2-4-8-16)22(33-24)23-26-14-31(29-23)19-9-5-6-12-32-19/h2-4,7-8,10-11,13-14,19H,5-6,9,12H2,1H3
InChIKeyKVEUKQQSMPQFKZ-UHFFFAOYSA-N
XLogP6.15
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.44
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole (CID 58094803) is 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole is Cc1nc2ccc(Br)cn2c1-c1nc(-c2ccccc2)c(-c2ncn(C3CCCCO3)n2)s1.
What is the InChIKey of 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole?
The InChIKey is KVEUKQQSMPQFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN6OS/c1-15-21(30-13-17(25)10-11-18(30)27-15)24-28-20(16-7-3-2-4-8-16)22(33-24)23-26-14-31(29-23)19-9-5-6-12-32-19/h2-4,7-8,10-11,13-14,19H,5-6,9,12H2,1H3.
What are the key properties of 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole?
2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole has a molecular weight of 521.44 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 58094803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).