N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide

C19H18N8O2S — CID 90600776

About N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide

N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 90600776) has the molecular formula C19H18N8O2S and a molecular weight of 422.47 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
• PubChem CID: 90600776
• Molecular Formula: C19H18N8O2S
• Molecular Weight: 422.47 g/mol
• Exact Mass: 422.13
• IUPAC Name: N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
• SMILES: O=C(Nc1nc(-c2ccco2)cs1)C1CCCN(c2cc(-n3cncn3)ncn2)C1
• InChI: InChI=1S/C19H18N8O2S/c28-18(25-19-24-14(9-30-19)15-4-2-6-29-15)13-3-1-5-26(8-13)16-7-17(22-11-21-16)27-12-20-10-23-27/h2,4,6-7,9-13H,1,3,5,8H2,(H,24,25,28)
• InChIKey: MDUZHBMSKRUZAS-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 114.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.47
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide?

The IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide (CID 90600776) is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide.

What is the SMILES notation for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide?

The canonical SMILES for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide is O=C(Nc1nc(-c2ccco2)cs1)C1CCCN(c2cc(-n3cncn3)ncn2)C1.

What is the InChIKey of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide?

The InChIKey is MDUZHBMSKRUZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O2S/c28-18(25-19-24-14(9-30-19)15-4-2-6-29-15)13-3-1-5-26(8-13)16-7-17(22-11-21-16)27-12-20-10-23-27/h2,4,6-7,9-13H,1,3,5,8H2,(H,24,25,28).

What are the key properties of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide?

N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 422.47 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 90600776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).