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

C19H15N5O3S2 — CID 90531926

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

N-[5-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide (PubChem CID 90531926) has the molecular formula C19H15N5O3S2 and a molecular weight of 425.50 g/mol. Its IUPAC name is N-[5-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
• PubChem CID: 90531926
• Molecular Formula: C19H15N5O3S2
• Molecular Weight: 425.50 g/mol
• Exact Mass: 425.06
• IUPAC Name: N-[5-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
• SMILES: O=C(Nc1nc2c(s1)CN(C(=O)c1cc(-c3ccco3)[nH]n1)CC2)c1ccsc1
• InChI: InChI=1S/C19H15N5O3S2/c25-17(11-4-7-28-10-11)21-19-20-12-3-5-24(9-16(12)29-19)18(26)14-8-13(22-23-14)15-2-1-6-27-15/h1-2,4,6-8,10H,3,5,9H2,(H,22,23)(H,20,21,25)
• InChIKey: AMQOPJMTQCJGAU-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 104.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.50
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide (CID 90531926) is N-[5-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide.

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

The canonical SMILES for N-[5-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide is O=C(Nc1nc2c(s1)CN(C(=O)c1cc(-c3ccco3)[nH]n1)CC2)c1ccsc1.

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

The InChIKey is AMQOPJMTQCJGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3S2/c25-17(11-4-7-28-10-11)21-19-20-12-3-5-24(9-16(12)29-19)18(26)14-8-13(22-23-14)15-2-1-6-27-15/h1-2,4,6-8,10H,3,5,9H2,(H,22,23)(H,20,21,25).

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

N-[5-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide has a molecular weight of 425.50 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 90531926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).