N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide

C17H19N3O3S — CID 131950599

IUPACN-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncsc1CCC(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)O2
InChIInChI=1S/C17H19N3O3S/c1-10-15(24-9-18-10)6-7-16(21)19-12-4-5-14-13(8-12)20(3)17(22)11(2)23-14/h4-5,8-9,11H,6-7H2,1-3H3,(H,19,21)
InChIKeyFZKHVWVWRBBROX-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.77
Rot. Bonds4

About N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide

N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide (PubChem CID 131950599) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide
PubChem CID131950599
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncsc1CCC(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)O2
InChIInChI=1S/C17H19N3O3S/c1-10-15(24-9-18-10)6-7-16(21)19-12-4-5-14-13(8-12)20(3)17(22)11(2)23-14/h4-5,8-9,11H,6-7H2,1-3H3,(H,19,21)
InChIKeyFZKHVWVWRBBROX-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide (CID 131950599) is N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide is Cc1ncsc1CCC(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)O2.
What is the InChIKey of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The InChIKey is FZKHVWVWRBBROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-10-15(24-9-18-10)6-7-16(21)19-12-4-5-14-13(8-12)20(3)17(22)11(2)23-14/h4-5,8-9,11H,6-7H2,1-3H3,(H,19,21).
What are the key properties of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide has a molecular weight of 345.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 131950599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).