N-[(2S,4S)-2-[[(2S)-1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamoyl]-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide

C23H25N7O4S2 — CID 11882471

About N-[(2S,4S)-2-[[(2S)-1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamoyl]-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide

N-[(2S,4S)-2-[[(2S)-1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamoyl]-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 11882471) has the molecular formula C23H25N7O4S2 and a molecular weight of 527.63 g/mol. Its IUPAC name is N-[(2S,4S)-2-[[(2S)-1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamoyl]-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S,4S)-2-[[(2S)-1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamoyl]-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
• PubChem CID: 11882471
• Molecular Formula: C23H25N7O4S2
• Molecular Weight: 527.63 g/mol
• Exact Mass: 527.14
• IUPAC Name: N-[(2S,4S)-2-[[(2S)-1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamoyl]-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
• SMILES: Cc1nc(C(=O)N2CC[C@H](NC(=O)c3cnccn3)C[C@H]2C(=O)N[C@@H](Cc2cccs2)C(N)=O)cs1
• InChI: InChI=1S/C23H25N7O4S2/c1-13-27-18(12-36-13)23(34)30-7-4-14(28-21(32)17-11-25-5-6-26-17)9-19(30)22(33)29-16(20(24)31)10-15-3-2-8-35-15/h2-3,5-6,8,11-12,14,16,19H,4,7,9-10H2,1H3,(H2,24,31)(H,28,32)(H,29,33)/t14-,16-,19-/m0/s1
• InChIKey: IYDCSGLSMZBISE-QOKNQOGYSA-N
• XLogP: 0.92
• TPSA: 160.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.63
LogP ≤ 5	0.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S)-2-[[(2S)-1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamoyl]-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide?

The IUPAC name of N-[(2S,4S)-2-[[(2S)-1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamoyl]-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide (CID 11882471) is N-[(2S,4S)-2-[[(2S)-1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamoyl]-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[(2S,4S)-2-[[(2S)-1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamoyl]-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide?

The canonical SMILES for N-[(2S,4S)-2-[[(2S)-1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamoyl]-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide is Cc1nc(C(=O)N2CC[C@H](NC(=O)c3cnccn3)C[C@H]2C(=O)N[C@@H](Cc2cccs2)C(N)=O)cs1.

What is the InChIKey of N-[(2S,4S)-2-[[(2S)-1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamoyl]-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide?

The InChIKey is IYDCSGLSMZBISE-QOKNQOGYSA-N. The full InChI is InChI=1S/C23H25N7O4S2/c1-13-27-18(12-36-13)23(34)30-7-4-14(28-21(32)17-11-25-5-6-26-17)9-19(30)22(33)29-16(20(24)31)10-15-3-2-8-35-15/h2-3,5-6,8,11-12,14,16,19H,4,7,9-10H2,1H3,(H2,24,31)(H,28,32)(H,29,33)/t14-,16-,19-/m0/s1.

What are the key properties of N-[(2S,4S)-2-[[(2S)-1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamoyl]-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide?

N-[(2S,4S)-2-[[(2S)-1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamoyl]-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 527.63 g/mol, XLogP of 0.92, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,4S)-2-[[(2S)-1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamoyl]-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 11882471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).