N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C18H12BrFN6S — CID 133269862

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFc1ccc(-c2cn3nc(NCc4cn5cc(Br)ccc5n4)sc3n2)cc1
InChIInChI=1S/C18H12BrFN6S/c19-12-3-6-16-22-14(9-25(16)8-12)7-21-17-24-26-10-15(23-18(26)27-17)11-1-4-13(20)5-2-11/h1-6,8-10H,7H2,(H,21,24)
InChIKeyVKEFUFPYYAWSLY-UHFFFAOYSA-N
MW443.31 g/mol
LogP4.62
Rot. Bonds4

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 133269862) has the molecular formula C18H12BrFN6S and a molecular weight of 443.31 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID133269862
Molecular FormulaC18H12BrFN6S
Molecular Weight443.31 g/mol
Exact Mass442.00
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFc1ccc(-c2cn3nc(NCc4cn5cc(Br)ccc5n4)sc3n2)cc1
InChIInChI=1S/C18H12BrFN6S/c19-12-3-6-16-22-14(9-25(16)8-12)7-21-17-24-26-10-15(23-18(26)27-17)11-1-4-13(20)5-2-11/h1-6,8-10H,7H2,(H,21,24)
InChIKeyVKEFUFPYYAWSLY-UHFFFAOYSA-N
XLogP4.62
TPSA59.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.31
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]hydrazine
CID 60919771
1-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol
CID 133329855
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-fluoroquinazolin-4-amine
CID 133269866
3-(4-fluorophenyl)-2-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]propanamide
CID 133454034
6-(4-fluorophenyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133486913
6-(4-fluorophenyl)-N-(2-morpholin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 167959752
6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
CID 703338
N-[[4-(dimethylamino)phenyl]methyl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67220880
2-ethylsulfanyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209906
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride
CID 82020644
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111678521
3-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-3-(furan-2-yl)propan-1-ol
CID 133493768

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 133269862) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Fc1ccc(-c2cn3nc(NCc4cn5cc(Br)ccc5n4)sc3n2)cc1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is VKEFUFPYYAWSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrFN6S/c19-12-3-6-16-22-14(9-25(16)8-12)7-21-17-24-26-10-15(23-18(26)27-17)11-1-4-13(20)5-2-11/h1-6,8-10H,7H2,(H,21,24).
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 443.31 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 133269862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).