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

C18H17BrN4S — CID 11958912

IUPAC4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1
InChIInChI=1S/C18H16N4S.BrH/c1-12-6-8-14(9-7-12)20-18-21-15(11-23-18)17-13(2)19-16-5-3-4-10-22(16)17;/h3-11H,1-2H3,(H,20,21);1H
InChIKeyPJIXSLVITKYKTC-UHFFFAOYSA-N
MW401.33 g/mol
LogP5.40
Rot. Bonds3

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

4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide (PubChem CID 11958912) has the molecular formula C18H17BrN4S and a molecular weight of 401.33 g/mol. Its IUPAC name is 4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
PubChem CID11958912
Molecular FormulaC18H17BrN4S
Molecular Weight401.33 g/mol
Exact Mass400.04
IUPAC Name4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1
InChIInChI=1S/C18H16N4S.BrH/c1-12-6-8-14(9-7-12)20-18-21-15(11-23-18)17-13(2)19-16-5-3-4-10-22(16)17;/h3-11H,1-2H3,(H,20,21);1H
InChIKeyPJIXSLVITKYKTC-UHFFFAOYSA-N
XLogP5.40
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.33
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of 4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide (CID 11958912) is 4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for 4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for 4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide is Br.Cc1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1.
What is the InChIKey of 4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is PJIXSLVITKYKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S.BrH/c1-12-6-8-14(9-7-12)20-18-21-15(11-23-18)17-13(2)19-16-5-3-4-10-22(16)17;/h3-11H,1-2H3,(H,20,21);1H.
What are the key properties of 4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide?
4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 401.33 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 11958912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).