2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide

C20H16ClN3O2S2 — CID 55668062

IUPAC2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
SMILESO=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C20H16ClN3O2S2/c21-13-3-1-2-12(6-13)7-20-23-15(10-28-20)9-18(25)22-14-4-5-17-16(8-14)24-19(26)11-27-17/h1-6,8,10H,7,9,11H2,(H,22,25)(H,24,26)
InChIKeySTTGGGPYRRWILL-UHFFFAOYSA-N
MW429.95 g/mol
LogP4.61
Rot. Bonds5

About 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide

2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide (PubChem CID 55668062) has the molecular formula C20H16ClN3O2S2 and a molecular weight of 429.95 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
PubChem CID55668062
Molecular FormulaC20H16ClN3O2S2
Molecular Weight429.95 g/mol
Exact Mass429.04
IUPAC Name2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
SMILESO=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C20H16ClN3O2S2/c21-13-3-1-2-12(6-13)7-20-23-15(10-28-20)9-18(25)22-14-4-5-17-16(8-14)24-19(26)11-27-17/h1-6,8,10H,7,9,11H2,(H,22,25)(H,24,26)
InChIKeySTTGGGPYRRWILL-UHFFFAOYSA-N
XLogP4.61
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 37015475
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 55796894
N-(5-acetamido-2-fluorophenyl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 43069303
N-(4-chloro-2-methylphenyl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 46427859
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide
CID 37015148
3-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 43699746
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 43069309
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 55796237
N-[2-(benzylamino)-2-oxoethyl]-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 39822412
3-hydroxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 115138762
N-(3-chlorophenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386648
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide
CID 43069168

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The IUPAC name of 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide (CID 55668062) is 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The canonical SMILES for 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide is O=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The InChIKey is STTGGGPYRRWILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2S2/c21-13-3-1-2-12(6-13)7-20-23-15(10-28-20)9-18(25)22-14-4-5-17-16(8-14)24-19(26)11-27-17/h1-6,8,10H,7,9,11H2,(H,22,25)(H,24,26).
What are the key properties of 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide has a molecular weight of 429.95 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide is sourced from PubChem (CID 55668062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).