N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

C20H22N6O2S2 — CID 55756558

About N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 55756558) has the molecular formula C20H22N6O2S2 and a molecular weight of 442.57 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
• PubChem CID: 55756558
• Molecular Formula: C20H22N6O2S2
• Molecular Weight: 442.57 g/mol
• Exact Mass: 442.12
• IUPAC Name: N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
• SMILES: CC(=O)NCc1ccc(-c2csc(NC(=O)C3CCN(c4ncccn4)CC3)n2)s1
• InChI: InChI=1S/C20H22N6O2S2/c1-13(27)23-11-15-3-4-17(30-15)16-12-29-20(24-16)25-18(28)14-5-9-26(10-6-14)19-21-7-2-8-22-19/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,23,27)(H,24,25,28)
• InChIKey: ZSMVCTDKLPTJCD-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 100.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.57
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?

The IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 55756558) is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.

What is the SMILES notation for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?

The canonical SMILES for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is CC(=O)NCc1ccc(-c2csc(NC(=O)C3CCN(c4ncccn4)CC3)n2)s1.

What is the InChIKey of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?

The InChIKey is ZSMVCTDKLPTJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S2/c1-13(27)23-11-15-3-4-17(30-15)16-12-29-20(24-16)25-18(28)14-5-9-26(10-6-14)19-21-7-2-8-22-19/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,23,27)(H,24,25,28).

What are the key properties of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 442.57 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 55756558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).