N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

C19H22N4O2S — CID 20921257

About N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (PubChem CID 20921257) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
• PubChem CID: 20921257
• Molecular Formula: C19H22N4O2S
• Molecular Weight: 370.48 g/mol
• Exact Mass: 370.15
• IUPAC Name: N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
• SMILES: CC(C)NC(=O)Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1
• InChI: InChI=1S/C19H22N4O2S/c1-13(2)21-17(24)12-14-5-7-15(8-6-14)22-19(25)23-10-11-26-18-16(23)4-3-9-20-18/h3-9,13H,10-12H2,1-2H3,(H,21,24)(H,22,25)
• InChIKey: CDEGKIMGMUNLSU-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.48
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?

The IUPAC name of N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (CID 20921257) is N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.

What is the SMILES notation for N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?

The canonical SMILES for N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is CC(C)NC(=O)Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1.

What is the InChIKey of N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?

The InChIKey is CDEGKIMGMUNLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-13(2)21-17(24)12-14-5-7-15(8-6-14)22-19(25)23-10-11-26-18-16(23)4-3-9-20-18/h3-9,13H,10-12H2,1-2H3,(H,21,24)(H,22,25).

What are the key properties of N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?

N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is sourced from PubChem (CID 20921257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).