2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide

C17H19N3O3S — CID 18132597

IUPAC2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)Nc2nc(C(C)C)cs2)C1=O
InChIInChI=1S/C17H19N3O3S/c1-10(2)12-9-24-17(18-12)19-15(21)8-20-13-6-4-5-7-14(13)23-11(3)16(20)22/h4-7,9-11H,8H2,1-3H3,(H,18,19,21)
InChIKeyXZSUDFPRQNSTJI-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.02
Rot. Bonds4

About 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide

2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 18132597) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID18132597
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)Nc2nc(C(C)C)cs2)C1=O
InChIInChI=1S/C17H19N3O3S/c1-10(2)12-9-24-17(18-12)19-15(21)8-20-13-6-4-5-7-14(13)23-11(3)16(20)22/h4-7,9-11H,8H2,1-3H3,(H,18,19,21)
InChIKeyXZSUDFPRQNSTJI-UHFFFAOYSA-N
XLogP3.02
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide (CID 18132597) is 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide is CC1Oc2ccccc2N(CC(=O)Nc2nc(C(C)C)cs2)C1=O.
What is the InChIKey of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is XZSUDFPRQNSTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-10(2)12-9-24-17(18-12)19-15(21)8-20-13-6-4-5-7-14(13)23-11(3)16(20)22/h4-7,9-11H,8H2,1-3H3,(H,18,19,21).
What are the key properties of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 345.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 18132597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).