N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(6-amino-2-methyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide

C16H17N5O4S — CID 110831578

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(6-amino-2-methyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide
SMILESCC(=O)c1sc(NC(=O)CN2C(=O)C(C)Oc3ccc(N)nc32)nc1C
InChIInChI=1S/C16H17N5O4S/c1-7-13(8(2)22)26-16(18-7)20-12(23)6-21-14-10(4-5-11(17)19-14)25-9(3)15(21)24/h4-5,9H,6H2,1-3H3,(H2,17,19)(H,18,20,23)
InChIKeyBNYRQBWXLLLVQV-UHFFFAOYSA-N
MW375.41 g/mol
LogP1.38
Rot. Bonds4

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(6-amino-2-methyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(6-amino-2-methyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide (PubChem CID 110831578) has the molecular formula C16H17N5O4S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(6-amino-2-methyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(6-amino-2-methyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide
PubChem CID110831578
Molecular FormulaC16H17N5O4S
Molecular Weight375.41 g/mol
Exact Mass375.10
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(6-amino-2-methyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide
SMILESCC(=O)c1sc(NC(=O)CN2C(=O)C(C)Oc3ccc(N)nc32)nc1C
InChIInChI=1S/C16H17N5O4S/c1-7-13(8(2)22)26-16(18-7)20-12(23)6-21-14-10(4-5-11(17)19-14)25-9(3)15(21)24/h4-5,9H,6H2,1-3H3,(H2,17,19)(H,18,20,23)
InChIKeyBNYRQBWXLLLVQV-UHFFFAOYSA-N
XLogP1.38
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(6-amino-2-methyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(6-amino-2-methyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide (CID 110831578) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(6-amino-2-methyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(6-amino-2-methyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(6-amino-2-methyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide is CC(=O)c1sc(NC(=O)CN2C(=O)C(C)Oc3ccc(N)nc32)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(6-amino-2-methyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
The InChIKey is BNYRQBWXLLLVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4S/c1-7-13(8(2)22)26-16(18-7)20-12(23)6-21-14-10(4-5-11(17)19-14)25-9(3)15(21)24/h4-5,9H,6H2,1-3H3,(H2,17,19)(H,18,20,23).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(6-amino-2-methyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(6-amino-2-methyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide has a molecular weight of 375.41 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(6-amino-2-methyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide is sourced from PubChem (CID 110831578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).