N-[4-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-2-methylbenzamide

C21H19N3O3S — CID 20995534

IUPACN-[4-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)N(C)C(=O)C(C)O3)cs1
InChIInChI=1S/C21H19N3O3S/c1-12-6-4-5-7-15(12)19(25)23-21-22-16(11-28-21)14-8-9-18-17(10-14)24(3)20(26)13(2)27-18/h4-11,13H,1-3H3,(H,22,23,25)
InChIKeyIMUXDGPFBWSOFS-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.11
Rot. Bonds3

About N-[4-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-2-methylbenzamide

N-[4-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-2-methylbenzamide (PubChem CID 20995534) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[4-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-2-methylbenzamide
PubChem CID20995534
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC NameN-[4-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)N(C)C(=O)C(C)O3)cs1
InChIInChI=1S/C21H19N3O3S/c1-12-6-4-5-7-15(12)19(25)23-21-22-16(11-28-21)14-8-9-18-17(10-14)24(3)20(26)13(2)27-18/h4-11,13H,1-3H3,(H,22,23,25)
InChIKeyIMUXDGPFBWSOFS-UHFFFAOYSA-N
XLogP4.11
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 861896
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 19195032
N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 108754689
3-(1,3-dioxoisoindol-2-yl)-N-[4-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 20995483
N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 22694414
4-chloro-N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 22694411
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 8504539
N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 16876643
2-(trifluoromethyl)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 108754585
2-methyl-N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3418788
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methylbenzamide
CID 36531308

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-2-methylbenzamide?
The IUPAC name of N-[4-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-2-methylbenzamide (CID 20995534) is N-[4-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[4-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)N(C)C(=O)C(C)O3)cs1.
What is the InChIKey of N-[4-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-2-methylbenzamide?
The InChIKey is IMUXDGPFBWSOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-12-6-4-5-7-15(12)19(25)23-21-22-16(11-28-21)14-8-9-18-17(10-14)24(3)20(26)13(2)27-18/h4-11,13H,1-3H3,(H,22,23,25).
What are the key properties of N-[4-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-2-methylbenzamide?
N-[4-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-2-methylbenzamide has a molecular weight of 393.47 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-2-methylbenzamide is sourced from PubChem (CID 20995534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).