N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide

C24H25N3O6S — CID 20995460

IUPACN-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
SMILESCCN1C(=O)COc2ccc(-c3nc(NC(=O)c4cc(OC)c(OC)c(OC)c4)sc3C)cc21
InChIInChI=1S/C24H25N3O6S/c1-6-27-16-9-14(7-8-17(16)33-12-20(27)28)21-13(2)34-24(25-21)26-23(29)15-10-18(30-3)22(32-5)19(11-15)31-4/h7-11H,6,12H2,1-5H3,(H,25,26,29)
InChIKeyGEZLNHKQXCBSJW-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.14
Rot. Bonds7

About N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide

N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide (PubChem CID 20995460) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
PubChem CID20995460
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC NameN-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
SMILESCCN1C(=O)COc2ccc(-c3nc(NC(=O)c4cc(OC)c(OC)c(OC)c4)sc3C)cc21
InChIInChI=1S/C24H25N3O6S/c1-6-27-16-9-14(7-8-17(16)33-12-20(27)28)21-13(2)34-24(25-21)26-23(29)15-10-18(30-3)22(32-5)19(11-15)31-4/h7-11H,6,12H2,1-5H3,(H,25,26,29)
InChIKeyGEZLNHKQXCBSJW-UHFFFAOYSA-N
XLogP4.14
TPSA99.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide (CID 20995460) is N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide is CCN1C(=O)COc2ccc(-c3nc(NC(=O)c4cc(OC)c(OC)c(OC)c4)sc3C)cc21.
What is the InChIKey of N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is GEZLNHKQXCBSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-6-27-16-9-14(7-8-17(16)33-12-20(27)28)21-13(2)34-24(25-21)26-23(29)15-10-18(30-3)22(32-5)19(11-15)31-4/h7-11H,6,12H2,1-5H3,(H,25,26,29).
What are the key properties of N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide?
N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 483.55 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 20995460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).