N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

C18H14N4O3S — CID 22694414

About N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 22694414) has the molecular formula C18H14N4O3S and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
• PubChem CID: 22694414
• Molecular Formula: C18H14N4O3S
• Molecular Weight: 366.40 g/mol
• Exact Mass: 366.08
• IUPAC Name: N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
• SMILES: CN1C(=O)COc2ccc(-c3csc(NC(=O)c4cccnc4)n3)cc21
• InChI: InChI=1S/C18H14N4O3S/c1-22-14-7-11(4-5-15(14)25-9-16(22)23)13-10-26-18(20-13)21-17(24)12-3-2-6-19-8-12/h2-8,10H,9H2,1H3,(H,20,21,24)
• InChIKey: QCAPUKPZDGNDJA-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.40
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?

The IUPAC name of N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 22694414) is N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is CN1C(=O)COc2ccc(-c3csc(NC(=O)c4cccnc4)n3)cc21.

What is the InChIKey of N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?

The InChIKey is QCAPUKPZDGNDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S/c1-22-14-7-11(4-5-15(14)25-9-16(22)23)13-10-26-18(20-13)21-17(24)12-3-2-6-19-8-12/h2-8,10H,9H2,1H3,(H,20,21,24).

What are the key properties of N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?

N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 22694414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).