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

C24H25N3O3S — CID 21009026

IUPACN-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
SMILESCCN1C(=O)COc2ccc(-c3nc(NC(=O)CCc4ccc(C)cc4)sc3C)cc21
InChIInChI=1S/C24H25N3O3S/c1-4-27-19-13-18(10-11-20(19)30-14-22(27)29)23-16(3)31-24(26-23)25-21(28)12-9-17-7-5-15(2)6-8-17/h5-8,10-11,13H,4,9,12,14H2,1-3H3,(H,25,26,28)
InChIKeyDSSHSFHEYUMUBF-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.74
Rot. Bonds6

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

N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide (PubChem CID 21009026) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 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-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
PubChem CID21009026
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
SMILESCCN1C(=O)COc2ccc(-c3nc(NC(=O)CCc4ccc(C)cc4)sc3C)cc21
InChIInChI=1S/C24H25N3O3S/c1-4-27-19-13-18(10-11-20(19)30-14-22(27)29)23-16(3)31-24(26-23)25-21(28)12-9-17-7-5-15(2)6-8-17/h5-8,10-11,13H,4,9,12,14H2,1-3H3,(H,25,26,28)
InChIKeyDSSHSFHEYUMUBF-UHFFFAOYSA-N
XLogP4.74
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 20997449
N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
CID 20997450
4-bromo-N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 21001945
N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 20995460
N-[5-methyl-4-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 20997508
N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 20995409
N-[5-methyl-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide
CID 20995386
4-(4-methylphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)butanamide
CID 110493204
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 19172938
6-(2-amino-5-methyl-1,3-thiazol-4-yl)-4-prop-2-enyl-1,4-benzoxazin-3-one
CID 20983955
ethyl 2-amino-4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methylthiophene-3-carboxylate
CID 39079152
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 4791131

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-methylphenyl)propanamide?
The IUPAC name of N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide (CID 21009026) is N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide.
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-methylphenyl)propanamide?
The canonical SMILES for N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide is CCN1C(=O)COc2ccc(-c3nc(NC(=O)CCc4ccc(C)cc4)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-methylphenyl)propanamide?
The InChIKey is DSSHSFHEYUMUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-4-27-19-13-18(10-11-20(19)30-14-22(27)29)23-16(3)31-24(26-23)25-21(28)12-9-17-7-5-15(2)6-8-17/h5-8,10-11,13H,4,9,12,14H2,1-3H3,(H,25,26,28).
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-methylphenyl)propanamide?
N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide has a molecular weight of 435.55 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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-methylphenyl)propanamide is sourced from PubChem (CID 21009026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).