5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)pyridin-3-amine

C76H56F3N13S5 — CID 159718816

IUPAC5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)pyridin-3-amine
SMILESCc1cc(-c2ncc(NCc3ccc(-c4cccnc4)nc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3cncs3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3nccs3)cc2-c2ccc3ncsc3c2)ccc1F
InChIInChI=1S/C30H22FN5S.2C23H17FN4S2/c1-19-11-22(5-7-26(19)31)30-25(21-6-9-28-29(12-21)37-18-36-28)13-24(17-35-30)33-14-20-4-8-27(34-15-20)23-3-2-10-32-16-23;1-14-6-16(2-4-20(14)24)23-19(15-3-5-21-22(7-15)30-13-28-21)8-17(9-27-23)26-11-18-10-25-12-29-18;1-14-8-16(2-4-19(14)24)23-18(15-3-5-20-21(9-15)30-13-28-20)10-17(11-27-23)26-12-22-25-6-7-29-22/h2-13,15-18,33H,14H2,1H3;2-10,12-13,26H,11H2,1H3;2-11,13,26H,12H2,1H3
InChIKeyMZTPPTCZDUGGST-UHFFFAOYSA-N
MW1368.70 g/mol
LogP20.62
Rot. Bonds16

About 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)pyridin-3-amine

5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)pyridin-3-amine (PubChem CID 159718816) has the molecular formula C76H56F3N13S5 and a molecular weight of 1368.70 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)pyridin-3-amine
PubChem CID159718816
Molecular FormulaC76H56F3N13S5
Molecular Weight1368.70 g/mol
Exact Mass1367.33
IUPAC Name5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)pyridin-3-amine
SMILESCc1cc(-c2ncc(NCc3ccc(-c4cccnc4)nc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3cncs3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3nccs3)cc2-c2ccc3ncsc3c2)ccc1F
InChIInChI=1S/C30H22FN5S.2C23H17FN4S2/c1-19-11-22(5-7-26(19)31)30-25(21-6-9-28-29(12-21)37-18-36-28)13-24(17-35-30)33-14-20-4-8-27(34-15-20)23-3-2-10-32-16-23;1-14-6-16(2-4-20(14)24)23-19(15-3-5-21-22(7-15)30-13-28-21)8-17(9-27-23)26-11-18-10-25-12-29-18;1-14-8-16(2-4-19(14)24)23-18(15-3-5-20-21(9-15)30-13-28-20)10-17(11-27-23)26-12-22-25-6-7-29-22/h2-13,15-18,33H,14H2,1H3;2-10,12-13,26H,11H2,1H3;2-11,13,26H,12H2,1H3
InChIKeyMZTPPTCZDUGGST-UHFFFAOYSA-N
XLogP20.62
TPSA164.99 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001368.70
LogP ≤ 520.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)pyridin-3-amine with MolForge

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Related Compounds

5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 90094367
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]pyridin-3-amine
CID 90094565
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(2-methyl-3-pyridinyl)methyl]pyridin-3-amine
CID 90094584
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)pyridin-3-amine
CID 90094651
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine
CID 90094677
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridin-3-amine
CID 90094804
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 90094967
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine
CID 90095431
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(5-methyl-2-pyridinyl)methyl]pyridin-3-amine
CID 117878904
2-(1-Benzothiophen-2-yl)pyridine;2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine;2-(2,4-difluorophenyl)pyridine;2-(4-fluorophenyl)pyridine;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-thiophen-2-ylpyridine
CID 158813685
2-[3-(5-Tert-butyl-1-methylpyridin-1-ium-2-yl)-4,6-difluoro-2-methylphenyl]-3-methyl-1,3-thiazol-3-ium;2-[3-(5-tert-butyl-1-methylpyridin-1-ium-2-yl)-2-methyl-5-(trifluoromethyl)phenyl]-3-methyl-1,3-thiazol-3-ium;2-[3-(5-tert-butyl-1-methylpyridin-1-ium-2-yl)-2,4,6-trimethylphenyl]-3-methyl-1,3-thiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzothiazol-3-ium
CID 159496861
6-(2,7-Dimethylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-(2-methylpiperidin-4-yl)-1,3-benzothiazole;6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine
CID 160055007

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)pyridin-3-amine?
The IUPAC name of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)pyridin-3-amine (CID 159718816) is 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)pyridin-3-amine?
The canonical SMILES for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)pyridin-3-amine is Cc1cc(-c2ncc(NCc3ccc(-c4cccnc4)nc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3cncs3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3nccs3)cc2-c2ccc3ncsc3c2)ccc1F.
What is the InChIKey of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)pyridin-3-amine?
The InChIKey is MZTPPTCZDUGGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22FN5S.2C23H17FN4S2/c1-19-11-22(5-7-26(19)31)30-25(21-6-9-28-29(12-21)37-18-36-28)13-24(17-35-30)33-14-20-4-8-27(34-15-20)23-3-2-10-32-16-23;1-14-6-16(2-4-20(14)24)23-19(15-3-5-21-22(7-15)30-13-28-21)8-17(9-27-23)26-11-18-10-25-12-29-18;1-14-8-16(2-4-19(14)24)23-18(15-3-5-20-21(9-15)30-13-28-20)10-17(11-27-23)26-12-22-25-6-7-29-22/h2-13,15-18,33H,14H2,1H3;2-10,12-13,26H,11H2,1H3;2-11,13,26H,12H2,1H3.
What are the key properties of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)pyridin-3-amine?
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)pyridin-3-amine has a molecular weight of 1368.70 g/mol, XLogP of 20.62, 16 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 159718816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).