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

C19H14N4O3S2 — CID 71788033

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

N-[5-(1,3-benzothiazole-6-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide (PubChem CID 71788033) has the molecular formula C19H14N4O3S2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[5-(1,3-benzothiazole-6-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(1,3-benzothiazole-6-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
• PubChem CID: 71788033
• Molecular Formula: C19H14N4O3S2
• Molecular Weight: 410.48 g/mol
• Exact Mass: 410.05
• IUPAC Name: N-[5-(1,3-benzothiazole-6-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
• SMILES: O=C(Nc1nc2c(s1)CN(C(=O)c1ccc3ncsc3c1)CC2)c1ccco1
• InChI: InChI=1S/C19H14N4O3S2/c24-17(14-2-1-7-26-14)22-19-21-13-5-6-23(9-16(13)28-19)18(25)11-3-4-12-15(8-11)27-10-20-12/h1-4,7-8,10H,5-6,9H2,(H,21,22,24)
• InChIKey: XDYHAMFROBDQBU-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.48
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-(1,3-benzothiazole-6-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide (CID 71788033) is N-[5-(1,3-benzothiazole-6-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide.

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

The canonical SMILES for N-[5-(1,3-benzothiazole-6-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide is O=C(Nc1nc2c(s1)CN(C(=O)c1ccc3ncsc3c1)CC2)c1ccco1.

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

The InChIKey is XDYHAMFROBDQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S2/c24-17(14-2-1-7-26-14)22-19-21-13-5-6-23(9-16(13)28-19)18(25)11-3-4-12-15(8-11)27-10-20-12/h1-4,7-8,10H,5-6,9H2,(H,21,22,24).

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

N-[5-(1,3-benzothiazole-6-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1,3-benzothiazole-6-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide is sourced from PubChem (CID 71788033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).