5-methyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]pyrazine-2-carboxamide

C20H21N5O2S — CID 11269455

About 5-methyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]pyrazine-2-carboxamide

5-methyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]pyrazine-2-carboxamide (PubChem CID 11269455) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 5-methyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]pyrazine-2-carboxamide
• PubChem CID: 11269455
• Molecular Formula: C20H21N5O2S
• Molecular Weight: 395.49 g/mol
• Exact Mass: 395.14
• IUPAC Name: 5-methyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]pyrazine-2-carboxamide
• SMILES: Cc1cnc(C(=O)Nc2ccc(CC(=O)Nc3ncc(C(C)C)s3)cc2)cn1
• InChI: InChI=1S/C20H21N5O2S/c1-12(2)17-11-23-20(28-17)25-18(26)8-14-4-6-15(7-5-14)24-19(27)16-10-21-13(3)9-22-16/h4-7,9-12H,8H2,1-3H3,(H,24,27)(H,23,25,26)
• InChIKey: LFAYBYGNEDFHQW-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 96.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.49
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-methyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]pyrazine-2-carboxamide (CID 11269455) is 5-methyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]pyrazine-2-carboxamide.

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

The canonical SMILES for 5-methyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(CC(=O)Nc3ncc(C(C)C)s3)cc2)cn1.

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

The InChIKey is LFAYBYGNEDFHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-12(2)17-11-23-20(28-17)25-18(26)8-14-4-6-15(7-5-14)24-19(27)16-10-21-13(3)9-22-16/h4-7,9-12H,8H2,1-3H3,(H,24,27)(H,23,25,26).

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

5-methyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]pyrazine-2-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 11269455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).