N-(4-tert-butylphenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide

C21H22BrFN4S — CID 122509774

IUPACN-(4-tert-butylphenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1nc2ccc(F)cn2c1-c1csc(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C21H21FN4S.BrH/c1-13-19(26-11-15(22)7-10-18(26)23-13)17-12-27-20(25-17)24-16-8-5-14(6-9-16)21(2,3)4;/h5-12H,1-4H3,(H,24,25);1H
InChIKeyCTSUBVMQEGXRPV-UHFFFAOYSA-N
MW461.40 g/mol
LogP6.52
Rot. Bonds3

About N-(4-tert-butylphenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide

N-(4-tert-butylphenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide (PubChem CID 122509774) has the molecular formula C21H22BrFN4S and a molecular weight of 461.40 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide
PubChem CID122509774
Molecular FormulaC21H22BrFN4S
Molecular Weight461.40 g/mol
Exact Mass460.07
IUPAC NameN-(4-tert-butylphenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1nc2ccc(F)cn2c1-c1csc(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C21H21FN4S.BrH/c1-13-19(26-11-15(22)7-10-18(26)23-13)17-12-27-20(25-17)24-16-8-5-14(6-9-16)21(2,3)4;/h5-12H,1-4H3,(H,24,25);1H
InChIKeyCTSUBVMQEGXRPV-UHFFFAOYSA-N
XLogP6.52
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.40
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-[4-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 44602880
4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-ethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 122509701
N-(4-bromo-2-chlorophenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
CID 57490455
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
6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)pyridin-2-amine
CID 118094774
4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)-1,3-thiazol-2-amine;hydrobromide
CID 122509674
N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840281
4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 44603134
6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 122578371
4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 1117208
4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 1117219
N,4-bis(4-fluorophenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840600

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of N-(4-tert-butylphenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide (CID 122509774) is N-(4-tert-butylphenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide is Br.Cc1nc2ccc(F)cn2c1-c1csc(Nc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is CTSUBVMQEGXRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4S.BrH/c1-13-19(26-11-15(22)7-10-18(26)23-13)17-12-27-20(25-17)24-16-8-5-14(6-9-16)21(2,3)4;/h5-12H,1-4H3,(H,24,25);1H.
What are the key properties of N-(4-tert-butylphenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide?
N-(4-tert-butylphenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 461.40 g/mol, XLogP of 6.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 122509774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).