(6-bromo-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-3-yl)-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methanamine

C19H15BrF2N4S — CID 90420318

IUPAC(6-bromo-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-3-yl)-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methanamine
SMILESCCc1nc2c(F)cc(Br)cn2c1C(N)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C19H15BrF2N4S/c1-2-14-17(26-8-11(20)7-13(22)18(26)24-14)16(23)19-25-15(9-27-19)10-3-5-12(21)6-4-10/h3-9,16H,2,23H2,1H3
InChIKeyLLPDGTAMXGQQPN-UHFFFAOYSA-N
MW449.32 g/mol
LogP5.11
Rot. Bonds4

About (6-bromo-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-3-yl)-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methanamine

(6-bromo-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-3-yl)-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 90420318) has the molecular formula C19H15BrF2N4S and a molecular weight of 449.32 g/mol. Its IUPAC name is (6-bromo-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-3-yl)-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name(6-bromo-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-3-yl)-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methanamine
PubChem CID90420318
Molecular FormulaC19H15BrF2N4S
Molecular Weight449.32 g/mol
Exact Mass448.02
IUPAC Name(6-bromo-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-3-yl)-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methanamine
SMILESCCc1nc2c(F)cc(Br)cn2c1C(N)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C19H15BrF2N4S/c1-2-14-17(26-8-11(20)7-13(22)18(26)24-14)16(23)19-25-15(9-27-19)10-3-5-12(21)6-4-10/h3-9,16H,2,23H2,1H3
InChIKeyLLPDGTAMXGQQPN-UHFFFAOYSA-N
XLogP5.11
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.32
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-3-yl)-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of (6-bromo-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-3-yl)-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methanamine (CID 90420318) is (6-bromo-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-3-yl)-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for (6-bromo-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-3-yl)-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for (6-bromo-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-3-yl)-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methanamine is CCc1nc2c(F)cc(Br)cn2c1C(N)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of (6-bromo-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-3-yl)-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is LLPDGTAMXGQQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrF2N4S/c1-2-14-17(26-8-11(20)7-13(22)18(26)24-14)16(23)19-25-15(9-27-19)10-3-5-12(21)6-4-10/h3-9,16H,2,23H2,1H3.
What are the key properties of (6-bromo-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-3-yl)-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methanamine?
(6-bromo-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-3-yl)-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 449.32 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-ethyl-8-fluoroimidazo[1,2-a]pyridin-3-yl)-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 90420318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).