2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-pyridinyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[3-(3-methoxyphenyl)-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methyl-3-phenylphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine

C81H78N10O4S3 — CID 165108742

About 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-pyridinyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[3-(3-methoxyphenyl)-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methyl-3-phenylphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine

2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-pyridinyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[3-(3-methoxyphenyl)-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methyl-3-phenylphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 165108742) has the molecular formula C81H78N10O4S3 and a molecular weight of 1351.78 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-pyridinyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[3-(3-methoxyphenyl)-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methyl-3-phenylphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-pyridinyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[3-(3-methoxyphenyl)-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methyl-3-phenylphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine
• PubChem CID: 165108742
• Molecular Formula: C81H78N10O4S3
• Molecular Weight: 1351.78 g/mol
• Exact Mass: 1350.54
• IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-pyridinyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[3-(3-methoxyphenyl)-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methyl-3-phenylphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine
• SMILES: COc1cccc(-c2cccc(-c3nc4c(s3)CNCC4)c2C)c1.Cc1c(-c2ccc3c(c2)OCCO3)ccnc1-c1nc2c(s1)CNCC2.Cc1c(-c2ccccc2)cccc1-c1nc2c(o1)CCNC2.Cc1c(-c2nc3c(s2)CCCC3)cccc1-c1cccc2c1cnn2C
• InChI: InChI=1S/C22H21N3S.C20H19N3O2S.C20H20N2OS.C19H18N2O/c1-14-15(17-9-6-11-20-18(17)13-23-25(20)2)7-5-8-16(14)22-24-19-10-3-4-12-21(19)26-22;1-12-14(13-2-3-16-17(10-13)25-9-8-24-16)4-7-22-19(12)20-23-15-5-6-21-11-18(15)26-20;1-13-16(14-5-3-6-15(11-14)23-2)7-4-8-17(13)20-22-18-9-10-21-12-19(18)24-20;1-13-15(14-6-3-2-4-7-14)8-5-9-16(13)19-21-17-12-20-11-10-18(17)22-19/h5-9,11,13H,3-4,10,12H2,1-2H3;2-4,7,10,21H,5-6,8-9,11H2,1H3;3-8,11,21H,9-10,12H2,1-2H3;2-9,20H,10-12H2,1H3
• InChIKey: ZPBCZMJHUQSLRH-UHFFFAOYSA-N
• XLogP: 17.55
• TPSA: 159.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1351.78
LogP ≤ 5	17.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-pyridinyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[3-(3-methoxyphenyl)-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methyl-3-phenylphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine?

The IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-pyridinyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[3-(3-methoxyphenyl)-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methyl-3-phenylphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine (CID 165108742) is 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-pyridinyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[3-(3-methoxyphenyl)-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methyl-3-phenylphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine.

What is the SMILES notation for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-pyridinyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[3-(3-methoxyphenyl)-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methyl-3-phenylphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine?

The canonical SMILES for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-pyridinyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[3-(3-methoxyphenyl)-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methyl-3-phenylphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine is COc1cccc(-c2cccc(-c3nc4c(s3)CNCC4)c2C)c1.Cc1c(-c2ccc3c(c2)OCCO3)ccnc1-c1nc2c(s1)CNCC2.Cc1c(-c2ccccc2)cccc1-c1nc2c(o1)CCNC2.Cc1c(-c2nc3c(s2)CCCC3)cccc1-c1cccc2c1cnn2C.

What is the InChIKey of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-pyridinyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[3-(3-methoxyphenyl)-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methyl-3-phenylphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine?

The InChIKey is ZPBCZMJHUQSLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3S.C20H19N3O2S.C20H20N2OS.C19H18N2O/c1-14-15(17-9-6-11-20-18(17)13-23-25(20)2)7-5-8-16(14)22-24-19-10-3-4-12-21(19)26-22;1-12-14(13-2-3-16-17(10-13)25-9-8-24-16)4-7-22-19(12)20-23-15-5-6-21-11-18(15)26-20;1-13-16(14-5-3-6-15(11-14)23-2)7-4-8-17(13)20-22-18-9-10-21-12-19(18)24-20;1-13-15(14-6-3-2-4-7-14)8-5-9-16(13)19-21-17-12-20-11-10-18(17)22-19/h5-9,11,13H,3-4,10,12H2,1-2H3;2-4,7,10,21H,5-6,8-9,11H2,1H3;3-8,11,21H,9-10,12H2,1-2H3;2-9,20H,10-12H2,1H3.

What are the key properties of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-pyridinyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[3-(3-methoxyphenyl)-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methyl-3-phenylphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine?

2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-pyridinyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[3-(3-methoxyphenyl)-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methyl-3-phenylphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 1351.78 g/mol, XLogP of 17.55, 9 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-pyridinyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[3-(3-methoxyphenyl)-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methyl-3-phenylphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 165108742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).