N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

C20H17N3O3S2 — CID 4879034

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CC3Sc4ccccc4NC3=O)n2)cc1
InChIInChI=1S/C20H17N3O3S2/c1-26-13-8-6-12(7-9-13)15-11-27-20(22-15)23-18(24)10-17-19(25)21-14-4-2-3-5-16(14)28-17/h2-9,11,17H,10H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyCZGKNOMDXDSWMM-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.26
Rot. Bonds5

About N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 4879034) has the molecular formula C20H17N3O3S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID4879034
Molecular FormulaC20H17N3O3S2
Molecular Weight411.51 g/mol
Exact Mass411.07
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CC3Sc4ccccc4NC3=O)n2)cc1
InChIInChI=1S/C20H17N3O3S2/c1-26-13-8-6-12(7-9-13)15-11-27-20(22-15)23-18(24)10-17-19(25)21-14-4-2-3-5-16(14)28-17/h2-9,11,17H,10H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyCZGKNOMDXDSWMM-UHFFFAOYSA-N
XLogP4.26
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 39948274
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 19164928
N-(2,5-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 1289338
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
CID 19164925
N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 51673096
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55439430
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 8747477
methyl 2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate
CID 2242136
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenylphenoxy)acetamide
CID 7948013
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7455818
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 29410733

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 4879034) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is COc1ccc(-c2csc(NC(=O)CC3Sc4ccccc4NC3=O)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is CZGKNOMDXDSWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S2/c1-26-13-8-6-12(7-9-13)15-11-27-20(22-15)23-18(24)10-17-19(25)21-14-4-2-3-5-16(14)28-17/h2-9,11,17H,10H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 411.51 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 4879034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).