4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole

C16H10F3N5OS — CID 53250479

IUPAC4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole
SMILESCOc1ccc(-n2c(-c3cscn3)nc3cc(C(F)(F)F)cnc32)cn1
InChIInChI=1S/C16H10F3N5OS/c1-25-13-3-2-10(6-20-13)24-14-11(4-9(5-21-14)16(17,18)19)23-15(24)12-7-26-8-22-12/h2-8H,1H3
InChIKeyRZWACWDCPHDCOQ-UHFFFAOYSA-N
MW377.35 g/mol
LogP3.97
Rot. Bonds3

About 4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole

4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole (PubChem CID 53250479) has the molecular formula C16H10F3N5OS and a molecular weight of 377.35 g/mol. Its IUPAC name is 4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole
PubChem CID53250479
Molecular FormulaC16H10F3N5OS
Molecular Weight377.35 g/mol
Exact Mass377.06
IUPAC Name4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole
SMILESCOc1ccc(-n2c(-c3cscn3)nc3cc(C(F)(F)F)cnc32)cn1
InChIInChI=1S/C16H10F3N5OS/c1-25-13-3-2-10(6-20-13)24-14-11(4-9(5-21-14)16(17,18)19)23-15(24)12-7-26-8-22-12/h2-8H,1H3
InChIKeyRZWACWDCPHDCOQ-UHFFFAOYSA-N
XLogP3.97
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole?
The IUPAC name of 4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole (CID 53250479) is 4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole?
The canonical SMILES for 4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole is COc1ccc(-n2c(-c3cscn3)nc3cc(C(F)(F)F)cnc32)cn1.
What is the InChIKey of 4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole?
The InChIKey is RZWACWDCPHDCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5OS/c1-25-13-3-2-10(6-20-13)24-14-11(4-9(5-21-14)16(17,18)19)23-15(24)12-7-26-8-22-12/h2-8H,1H3.
What are the key properties of 4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole?
4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole has a molecular weight of 377.35 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1,3-thiazole is sourced from PubChem (CID 53250479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).