N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(6-fluoro-3-pyridinyl)-N-methyl-1,3-thiazol-2-amine

C18H15BrFN5S — CID 130283662

IUPACN-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(6-fluoro-3-pyridinyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(Br)cn2c1N(C)c1nc(-c2ccc(F)nc2)cs1
InChIInChI=1S/C18H15BrFN5S/c1-3-13-17(25-9-12(19)5-7-16(25)22-13)24(2)18-23-14(10-26-18)11-4-6-15(20)21-8-11/h4-10H,3H2,1-2H3
InChIKeyMIVPTGQWPMSDOE-UHFFFAOYSA-N
MW432.32 g/mol
LogP5.08
Rot. Bonds4

About N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(6-fluoro-3-pyridinyl)-N-methyl-1,3-thiazol-2-amine

N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(6-fluoro-3-pyridinyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 130283662) has the molecular formula C18H15BrFN5S and a molecular weight of 432.32 g/mol. Its IUPAC name is N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(6-fluoro-3-pyridinyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(6-fluoro-3-pyridinyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID130283662
Molecular FormulaC18H15BrFN5S
Molecular Weight432.32 g/mol
Exact Mass431.02
IUPAC NameN-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(6-fluoro-3-pyridinyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(Br)cn2c1N(C)c1nc(-c2ccc(F)nc2)cs1
InChIInChI=1S/C18H15BrFN5S/c1-3-13-17(25-9-12(19)5-7-16(25)22-13)24(2)18-23-14(10-26-18)11-4-6-15(20)21-8-11/h4-10H,3H2,1-2H3
InChIKeyMIVPTGQWPMSDOE-UHFFFAOYSA-N
XLogP5.08
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.32
LogP ≤ 55.08
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 N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(6-fluoro-3-pyridinyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(6-fluoro-3-pyridinyl)-N-methyl-1,3-thiazol-2-amine (CID 130283662) is N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(6-fluoro-3-pyridinyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(6-fluoro-3-pyridinyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(6-fluoro-3-pyridinyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(Br)cn2c1N(C)c1nc(-c2ccc(F)nc2)cs1.
What is the InChIKey of N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(6-fluoro-3-pyridinyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is MIVPTGQWPMSDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN5S/c1-3-13-17(25-9-12(19)5-7-16(25)22-13)24(2)18-23-14(10-26-18)11-4-6-15(20)21-8-11/h4-10H,3H2,1-2H3.
What are the key properties of N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(6-fluoro-3-pyridinyl)-N-methyl-1,3-thiazol-2-amine?
N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(6-fluoro-3-pyridinyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 432.32 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(6-fluoro-3-pyridinyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 130283662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).