6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine

C21H16FN5OS — CID 172804782

IUPAC6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccccc1Nc1nc2ccc(Cc3nc4ncc(F)cc4[nH]3)cc2s1
InChIInChI=1S/C21H16FN5OS/c1-28-17-5-3-2-4-14(17)25-21-26-15-7-6-12(8-18(15)29-21)9-19-24-16-10-13(22)11-23-20(16)27-19/h2-8,10-11H,9H2,1H3,(H,25,26)(H,23,24,27)
InChIKeyRIYUODZJUHJNKD-UHFFFAOYSA-N
MW405.46 g/mol
LogP5.05
Rot. Bonds5

About 6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine

6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine (PubChem CID 172804782) has the molecular formula C21H16FN5OS and a molecular weight of 405.46 g/mol. Its IUPAC name is 6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine
PubChem CID172804782
Molecular FormulaC21H16FN5OS
Molecular Weight405.46 g/mol
Exact Mass405.11
IUPAC Name6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccccc1Nc1nc2ccc(Cc3nc4ncc(F)cc4[nH]3)cc2s1
InChIInChI=1S/C21H16FN5OS/c1-28-17-5-3-2-4-14(17)25-21-26-15-7-6-12(8-18(15)29-21)9-19-24-16-10-13(22)11-23-20(16)27-19/h2-8,10-11H,9H2,1H3,(H,25,26)(H,23,24,27)
InChIKeyRIYUODZJUHJNKD-UHFFFAOYSA-N
XLogP5.05
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.46
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine (CID 172804782) is 6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine is COc1ccccc1Nc1nc2ccc(Cc3nc4ncc(F)cc4[nH]3)cc2s1.
What is the InChIKey of 6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is RIYUODZJUHJNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5OS/c1-28-17-5-3-2-4-14(17)25-21-26-15-7-6-12(8-18(15)29-21)9-19-24-16-10-13(22)11-23-20(16)27-19/h2-8,10-11H,9H2,1H3,(H,25,26)(H,23,24,27).
What are the key properties of 6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine?
6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 405.46 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 172804782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).