3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-[(4-propan-2-ylbenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide

C24H29N7O2S — CID 135361534

About 3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-[(4-propan-2-ylbenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide

3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-[(4-propan-2-ylbenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 135361534) has the molecular formula C24H29N7O2S and a molecular weight of 479.61 g/mol. Its IUPAC name is 3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-[(4-propan-2-ylbenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-[(4-propan-2-ylbenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide
• PubChem CID: 135361534
• Molecular Formula: C24H29N7O2S
• Molecular Weight: 479.61 g/mol
• Exact Mass: 479.21
• IUPAC Name: 3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-[(4-propan-2-ylbenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide
• SMILES: Cc1cc(Nc2nc(N3CCCC(NC(=O)c4ccc(C(C)C)cc4)C3)cnc2C(N)=O)sn1
• InChI: InChI=1S/C24H29N7O2S/c1-14(2)16-6-8-17(9-7-16)24(33)27-18-5-4-10-31(13-18)19-12-26-21(22(25)32)23(28-19)29-20-11-15(3)30-34-20/h6-9,11-12,14,18H,4-5,10,13H2,1-3H3,(H2,25,32)(H,27,33)(H,28,29)
• InChIKey: OYNZOAYTPNRQSL-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 126.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.61
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-[(4-propan-2-ylbenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide?

The IUPAC name of 3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-[(4-propan-2-ylbenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide (CID 135361534) is 3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-[(4-propan-2-ylbenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-[(4-propan-2-ylbenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide?

The canonical SMILES for 3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-[(4-propan-2-ylbenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide is Cc1cc(Nc2nc(N3CCCC(NC(=O)c4ccc(C(C)C)cc4)C3)cnc2C(N)=O)sn1.

What is the InChIKey of 3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-[(4-propan-2-ylbenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide?

The InChIKey is OYNZOAYTPNRQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2S/c1-14(2)16-6-8-17(9-7-16)24(33)27-18-5-4-10-31(13-18)19-12-26-21(22(25)32)23(28-19)29-20-11-15(3)30-34-20/h6-9,11-12,14,18H,4-5,10,13H2,1-3H3,(H2,25,32)(H,27,33)(H,28,29).

What are the key properties of 3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-[(4-propan-2-ylbenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide?

3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-[(4-propan-2-ylbenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 479.61 g/mol, XLogP of 3.61, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-[(4-propan-2-ylbenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 135361534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).