4-methyl-N-[(1S)-5-(pyrazine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide

C18H21N5O2S — CID 130286407

About 4-methyl-N-[(1S)-5-(pyrazine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide

4-methyl-N-[(1S)-5-(pyrazine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide (PubChem CID 130286407) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 4-methyl-N-[(1S)-5-(pyrazine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[(1S)-5-(pyrazine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide
• PubChem CID: 130286407
• Molecular Formula: C18H21N5O2S
• Molecular Weight: 371.47 g/mol
• Exact Mass: 371.14
• IUPAC Name: 4-methyl-N-[(1S)-5-(pyrazine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide
• SMILES: Cc1csc(C(=O)N[C@@]23CCCC(NC(=O)c4cnccn4)(CC2)C3)n1
• InChI: InChI=1S/C18H21N5O2S/c1-12-10-26-16(21-12)15(25)23-18-4-2-3-17(11-18,5-6-18)22-14(24)13-9-19-7-8-20-13/h7-10H,2-6,11H2,1H3,(H,22,24)(H,23,25)/t17?,18-/m0/s1
• InChIKey: HQFPXSZPWIRYKM-ZVAWYAOSSA-N
• XLogP: 2.25
• TPSA: 96.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.47
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S)-5-(pyrazine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide?

The IUPAC name of 4-methyl-N-[(1S)-5-(pyrazine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide (CID 130286407) is 4-methyl-N-[(1S)-5-(pyrazine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide.

What is the SMILES notation for 4-methyl-N-[(1S)-5-(pyrazine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide?

The canonical SMILES for 4-methyl-N-[(1S)-5-(pyrazine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide is Cc1csc(C(=O)N[C@@]23CCCC(NC(=O)c4cnccn4)(CC2)C3)n1.

What is the InChIKey of 4-methyl-N-[(1S)-5-(pyrazine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide?

The InChIKey is HQFPXSZPWIRYKM-ZVAWYAOSSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-12-10-26-16(21-12)15(25)23-18-4-2-3-17(11-18,5-6-18)22-14(24)13-9-19-7-8-20-13/h7-10H,2-6,11H2,1H3,(H,22,24)(H,23,25)/t17?,18-/m0/s1.

What are the key properties of 4-methyl-N-[(1S)-5-(pyrazine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide?

4-methyl-N-[(1S)-5-(pyrazine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[(1S)-5-(pyrazine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 130286407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).