2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C19H22N4O2S2 — CID 43968356

About 2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 43968356) has the molecular formula C19H22N4O2S2 and a molecular weight of 402.55 g/mol. Its IUPAC name is 2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 43968356
• Molecular Formula: C19H22N4O2S2
• Molecular Weight: 402.55 g/mol
• Exact Mass: 402.12
• IUPAC Name: 2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: COc1cccc2sc(Nc3sc4c(c3C(N)=O)CCN(C(C)C)C4)nc12
• InChI: InChI=1S/C19H22N4O2S2/c1-10(2)23-8-7-11-14(9-23)26-18(15(11)17(20)24)22-19-21-16-12(25-3)5-4-6-13(16)27-19/h4-6,10H,7-9H2,1-3H3,(H2,20,24)(H,21,22)
• InChIKey: TUNOUYGREPNJST-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 80.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.55
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The IUPAC name of 2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 43968356) is 2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for 2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is COc1cccc2sc(Nc3sc4c(c3C(N)=O)CCN(C(C)C)C4)nc12.

What is the InChIKey of 2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The InChIKey is TUNOUYGREPNJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S2/c1-10(2)23-8-7-11-14(9-23)26-18(15(11)17(20)24)22-19-21-16-12(25-3)5-4-6-13(16)27-19/h4-6,10H,7-9H2,1-3H3,(H2,20,24)(H,21,22).

What are the key properties of 2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 402.55 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 43968356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).