N-[5-(9H-xanthene-9-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide

C25H19N3O3S2 — CID 90527006

About N-[5-(9H-xanthene-9-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide

N-[5-(9H-xanthene-9-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide (PubChem CID 90527006) has the molecular formula C25H19N3O3S2 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-[5-(9H-xanthene-9-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(9H-xanthene-9-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
• PubChem CID: 90527006
• Molecular Formula: C25H19N3O3S2
• Molecular Weight: 473.58 g/mol
• Exact Mass: 473.09
• IUPAC Name: N-[5-(9H-xanthene-9-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
• SMILES: O=C(Nc1nc2c(s1)CN(C(=O)C1c3ccccc3Oc3ccccc31)CC2)c1cccs1
• InChI: InChI=1S/C25H19N3O3S2/c29-23(20-10-5-13-32-20)27-25-26-17-11-12-28(14-21(17)33-25)24(30)22-15-6-1-3-8-18(15)31-19-9-4-2-7-16(19)22/h1-10,13,22H,11-12,14H2,(H,26,27,29)
• InChIKey: QFRFQZGAHSKALW-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.58
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-(9H-xanthene-9-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[5-(9H-xanthene-9-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide (CID 90527006) is N-[5-(9H-xanthene-9-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[5-(9H-xanthene-9-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[5-(9H-xanthene-9-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide is O=C(Nc1nc2c(s1)CN(C(=O)C1c3ccccc3Oc3ccccc31)CC2)c1cccs1.

What is the InChIKey of N-[5-(9H-xanthene-9-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?

The InChIKey is QFRFQZGAHSKALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3S2/c29-23(20-10-5-13-32-20)27-25-26-17-11-12-28(14-21(17)33-25)24(30)22-15-6-1-3-8-18(15)31-19-9-4-2-7-16(19)22/h1-10,13,22H,11-12,14H2,(H,26,27,29).

What are the key properties of N-[5-(9H-xanthene-9-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?

N-[5-(9H-xanthene-9-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(9H-xanthene-9-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 90527006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).