5-[[4-[(5-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazole

C18H15ClN4OS — CID 140967846

IUPAC5-[[4-[(5-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazole
SMILESCn1c(COc2ccc(Cc3cncs3)cc2)nc2ccc(Cl)nc21
InChIInChI=1S/C18H15ClN4OS/c1-23-17(21-15-6-7-16(19)22-18(15)23)10-24-13-4-2-12(3-5-13)8-14-9-20-11-25-14/h2-7,9,11H,8,10H2,1H3
InChIKeyIDOYNJNHSIPNGU-UHFFFAOYSA-N
MW370.87 g/mol
LogP4.25
Rot. Bonds5

About 5-[[4-[(5-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazole

5-[[4-[(5-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazole (PubChem CID 140967846) has the molecular formula C18H15ClN4OS and a molecular weight of 370.87 g/mol. Its IUPAC name is 5-[[4-[(5-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-[(5-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazole
PubChem CID140967846
Molecular FormulaC18H15ClN4OS
Molecular Weight370.87 g/mol
Exact Mass370.07
IUPAC Name5-[[4-[(5-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazole
SMILESCn1c(COc2ccc(Cc3cncs3)cc2)nc2ccc(Cl)nc21
InChIInChI=1S/C18H15ClN4OS/c1-23-17(21-15-6-7-16(19)22-18(15)23)10-24-13-4-2-12(3-5-13)8-14-9-20-11-25-14/h2-7,9,11H,8,10H2,1H3
InChIKeyIDOYNJNHSIPNGU-UHFFFAOYSA-N
XLogP4.25
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.87
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(5-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[4-[(5-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazole (CID 140967846) is 5-[[4-[(5-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[4-[(5-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[4-[(5-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazole is Cn1c(COc2ccc(Cc3cncs3)cc2)nc2ccc(Cl)nc21.
What is the InChIKey of 5-[[4-[(5-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazole?
The InChIKey is IDOYNJNHSIPNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4OS/c1-23-17(21-15-6-7-16(19)22-18(15)23)10-24-13-4-2-12(3-5-13)8-14-9-20-11-25-14/h2-7,9,11H,8,10H2,1H3.
What are the key properties of 5-[[4-[(5-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazole?
5-[[4-[(5-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazole has a molecular weight of 370.87 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(5-chloro-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazole is sourced from PubChem (CID 140967846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).