N-[3-(1,3-benzothiazol-2-yl)-5,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4-fluoro-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;ethane

C55H60FN9O3S6 — CID 145202225

About N-[3-(1,3-benzothiazol-2-yl)-5,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4-fluoro-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;ethane

N-[3-(1,3-benzothiazol-2-yl)-5,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4-fluoro-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;ethane (PubChem CID 145202225) has the molecular formula C55H60FN9O3S6 and a molecular weight of 1106.54 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)-5,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4-fluoro-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;ethane.

Molecular Properties

• Compound Name: N-[3-(1,3-benzothiazol-2-yl)-5,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4-fluoro-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;ethane
• PubChem CID: 145202225
• Molecular Formula: C55H60FN9O3S6
• Molecular Weight: 1106.54 g/mol
• Exact Mass: 1105.31
• IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-5,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4-fluoro-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;ethane
• SMILES: CC.CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)C(F)CN(C(C)C)C2.CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC(C)NC2C.CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2
• InChI: InChI=1S/C19H20FN3OS2.C18H19N3OS2.C16H15N3OS2.C2H6/c1-10(2)23-8-12(20)16-15(9-23)26-18(21-11(3)24)17(16)19-22-13-6-4-5-7-14(13)25-19;1-9-8-12-15(18-21-13-6-4-5-7-14(13)23-18)17(20-11(3)22)24-16(12)10(2)19-9;1-9(20)18-15-14(10-6-7-17-8-13(10)22-15)16-19-11-4-2-3-5-12(11)21-16;1-2/h4-7,10,12H,8-9H2,1-3H3,(H,21,24);4-7,9-10,19H,8H2,1-3H3,(H,20,22);2-5,17H,6-8H2,1H3,(H,18,20);1-2H3
• InChIKey: XQRCWMILDLAJLT-UHFFFAOYSA-N
• XLogP: 14.45
• TPSA: 153.27 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1106.54
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-5,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4-fluoro-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;ethane?

The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-5,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4-fluoro-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;ethane (CID 145202225) is N-[3-(1,3-benzothiazol-2-yl)-5,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4-fluoro-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;ethane.

What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)-5,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4-fluoro-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;ethane?

The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)-5,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4-fluoro-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;ethane is CC.CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)C(F)CN(C(C)C)C2.CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC(C)NC2C.CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2.

What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)-5,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4-fluoro-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;ethane?

The InChIKey is XQRCWMILDLAJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3OS2.C18H19N3OS2.C16H15N3OS2.C2H6/c1-10(2)23-8-12(20)16-15(9-23)26-18(21-11(3)24)17(16)19-22-13-6-4-5-7-14(13)25-19;1-9-8-12-15(18-21-13-6-4-5-7-14(13)23-18)17(20-11(3)22)24-16(12)10(2)19-9;1-9(20)18-15-14(10-6-7-17-8-13(10)22-15)16-19-11-4-2-3-5-12(11)21-16;1-2/h4-7,10,12H,8-9H2,1-3H3,(H,21,24);4-7,9-10,19H,8H2,1-3H3,(H,20,22);2-5,17H,6-8H2,1H3,(H,18,20);1-2H3.

What are the key properties of N-[3-(1,3-benzothiazol-2-yl)-5,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4-fluoro-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;ethane?

N-[3-(1,3-benzothiazol-2-yl)-5,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4-fluoro-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;ethane has a molecular weight of 1106.54 g/mol, XLogP of 14.45, 7 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1,3-benzothiazol-2-yl)-5,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4-fluoro-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;ethane is sourced from PubChem (CID 145202225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).