N-(1,3-benzodioxol-5-yl)-4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide

C19H17BrN4O2S — CID 122509783

IUPACN-(1,3-benzodioxol-5-yl)-4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1nc2c(C)cccn2c1-c1csc(Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C19H16N4O2S.BrH/c1-11-4-3-7-23-17(12(2)20-18(11)23)14-9-26-19(22-14)21-13-5-6-15-16(8-13)25-10-24-15;/h3-9H,10H2,1-2H3,(H,21,22);1H
InChIKeyLAXRTZRHPSSYEX-UHFFFAOYSA-N
MW445.34 g/mol
LogP5.12
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide

N-(1,3-benzodioxol-5-yl)-4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide (PubChem CID 122509783) has the molecular formula C19H17BrN4O2S and a molecular weight of 445.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide
PubChem CID122509783
Molecular FormulaC19H17BrN4O2S
Molecular Weight445.34 g/mol
Exact Mass444.03
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1nc2c(C)cccn2c1-c1csc(Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C19H16N4O2S.BrH/c1-11-4-3-7-23-17(12(2)20-18(11)23)14-9-26-19(22-14)21-13-5-6-15-16(8-13)25-10-24-15;/h3-9H,10H2,1-2H3,(H,21,22);1H
InChIKeyLAXRTZRHPSSYEX-UHFFFAOYSA-N
XLogP5.12
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.34
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
CID 44602760
1-N-[4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 57490502
N-(1,3-benzodioxol-5-yl)-4-(4-chloro-3-methylphenyl)-1,3-thiazol-2-amine
CID 84564736
N-(1,3-benzodioxol-5-yl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 70696152
4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide
CID 58163873
4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine;hydrobromide
CID 122509686
2-[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-4-chlorophenol
CID 84564796
4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 126478311
N-(1,3-benzodioxol-5-yl)-4-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine
CID 58911009
[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-(2-methylbenzimidazol-1-yl)methanone
CID 84555028
4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 1255050
1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methylphenyl)ethanone
CID 58163684

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide (CID 122509783) is N-(1,3-benzodioxol-5-yl)-4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide is Br.Cc1nc2c(C)cccn2c1-c1csc(Nc2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is LAXRTZRHPSSYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S.BrH/c1-11-4-3-7-23-17(12(2)20-18(11)23)14-9-26-19(22-14)21-13-5-6-15-16(8-13)25-10-24-15;/h3-9H,10H2,1-2H3,(H,21,22);1H.
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide?
N-(1,3-benzodioxol-5-yl)-4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 445.34 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 122509783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).