N-[1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide

C20H22N4OS2 — CID 128948618

About N-[1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide

N-[1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 128948618) has the molecular formula C20H22N4OS2 and a molecular weight of 398.56 g/mol. Its IUPAC name is N-[1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
• PubChem CID: 128948618
• Molecular Formula: C20H22N4OS2
• Molecular Weight: 398.56 g/mol
• Exact Mass: 398.12
• IUPAC Name: N-[1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
• SMILES: O=C(NC1CCN(c2ncnc3sc4c(c23)CCCC4)CC1)c1ccsc1
• InChI: InChI=1S/C20H22N4OS2/c25-19(13-7-10-26-11-13)23-14-5-8-24(9-6-14)18-17-15-3-1-2-4-16(15)27-20(17)22-12-21-18/h7,10-12,14H,1-6,8-9H2,(H,23,25)
• InChIKey: IQZSMESJICNARE-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.56
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide?

The IUPAC name of N-[1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide (CID 128948618) is N-[1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide.

What is the SMILES notation for N-[1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide?

The canonical SMILES for N-[1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide is O=C(NC1CCN(c2ncnc3sc4c(c23)CCCC4)CC1)c1ccsc1.

What is the InChIKey of N-[1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide?

The InChIKey is IQZSMESJICNARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS2/c25-19(13-7-10-26-11-13)23-14-5-8-24(9-6-14)18-17-15-3-1-2-4-16(15)27-20(17)22-12-21-18/h7,10-12,14H,1-6,8-9H2,(H,23,25).

What are the key properties of N-[1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide?

N-[1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 398.56 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 128948618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).