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

C18H18BrN5S — CID 126478341

IUPACN-(2,4-dimethylphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1ccc(Nc2nc(-c3c(C)nc4ncccn34)cs2)c(C)c1
InChIInChI=1S/C18H17N5S.BrH/c1-11-5-6-14(12(2)9-11)21-18-22-15(10-24-18)16-13(3)20-17-19-7-4-8-23(16)17;/h4-10H,1-3H3,(H,21,22);1H
InChIKeySNBAIWUVDSHLDS-UHFFFAOYSA-N
MW416.35 g/mol
LogP5.10
Rot. Bonds3

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

N-(2,4-dimethylphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide (PubChem CID 126478341) has the molecular formula C18H18BrN5S and a molecular weight of 416.35 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide
PubChem CID126478341
Molecular FormulaC18H18BrN5S
Molecular Weight416.35 g/mol
Exact Mass415.05
IUPAC NameN-(2,4-dimethylphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1ccc(Nc2nc(-c3c(C)nc4ncccn34)cs2)c(C)c1
InChIInChI=1S/C18H17N5S.BrH/c1-11-5-6-14(12(2)9-11)21-18-22-15(10-24-18)16-13(3)20-17-19-7-4-8-23(16)17;/h4-10H,1-3H3,(H,21,22);1H
InChIKeySNBAIWUVDSHLDS-UHFFFAOYSA-N
XLogP5.10
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.35
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 1255050
4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 628020
N-(2-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
CID 1041641
4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine bromide
CID 53350815
N-(2,6-dibromo-4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
CID 1117196
4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 126478311
N-(2-chlorophenyl)-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide
CID 126478306
N-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 2132345
2-methyl-3-(4-methylphenyl)imidazo[1,2-a]pyrimidine
CID 71059779
4-chloro-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 83153410
N-(4-chlorophenyl)-4-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
CID 57490437
N-(4-bromophenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
CID 44602944

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide (CID 126478341) is N-(2,4-dimethylphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide is Br.Cc1ccc(Nc2nc(-c3c(C)nc4ncccn34)cs2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is SNBAIWUVDSHLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5S.BrH/c1-11-5-6-14(12(2)9-11)21-18-22-15(10-24-18)16-13(3)20-17-19-7-4-8-23(16)17;/h4-10H,1-3H3,(H,21,22);1H.
What are the key properties of N-(2,4-dimethylphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide?
N-(2,4-dimethylphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 416.35 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 126478341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).