4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine;hydrobromide

C19H19BrN4S — CID 126478311

IUPAC4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1ccn2c(-c3csc(Nc4ccccc4C)n3)c(C)nc2c1
InChIInChI=1S/C19H18N4S.BrH/c1-12-8-9-23-17(10-12)20-14(3)18(23)16-11-24-19(22-16)21-15-7-5-4-6-13(15)2;/h4-11H,1-3H3,(H,21,22);1H
InChIKeyBTKUOFOYZOXCCT-UHFFFAOYSA-N
MW415.36 g/mol
LogP5.70
Rot. Bonds3

About 4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine;hydrobromide

4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine;hydrobromide (PubChem CID 126478311) has the molecular formula C19H19BrN4S and a molecular weight of 415.36 g/mol. Its IUPAC name is 4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
PubChem CID126478311
Molecular FormulaC19H19BrN4S
Molecular Weight415.36 g/mol
Exact Mass414.05
IUPAC Name4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1ccn2c(-c3csc(Nc4ccccc4C)n3)c(C)nc2c1
InChIInChI=1S/C19H18N4S.BrH/c1-12-8-9-23-17(10-12)20-14(3)18(23)16-11-24-19(22-16)21-15-7-5-4-6-13(15)2;/h4-11H,1-3H3,(H,21,22);1H
InChIKeyBTKUOFOYZOXCCT-UHFFFAOYSA-N
XLogP5.70
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.36
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of 4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine;hydrobromide (CID 126478311) is 4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for 4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for 4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine;hydrobromide is Br.Cc1ccn2c(-c3csc(Nc4ccccc4C)n3)c(C)nc2c1.
What is the InChIKey of 4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is BTKUOFOYZOXCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4S.BrH/c1-12-8-9-23-17(10-12)20-14(3)18(23)16-11-24-19(22-16)21-15-7-5-4-6-13(15)2;/h4-11H,1-3H3,(H,21,22);1H.
What are the key properties of 4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine;hydrobromide?
4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 415.36 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 126478311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).