N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide

C18H12ClN3O3S — CID 7192867

IUPACN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1c(Cl)ccc2sc(NC(=O)CN3C(=O)c4ccccc4C3=O)nc12
InChIInChI=1S/C18H12ClN3O3S/c1-9-12(19)6-7-13-15(9)21-18(26-13)20-14(23)8-22-16(24)10-4-2-3-5-11(10)17(22)25/h2-7H,8H2,1H3,(H,20,21,23)
InChIKeyHOVOPPRTRYXVND-UHFFFAOYSA-N
MW385.83 g/mol
LogP3.49
Rot. Bonds3

About N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 7192867) has the molecular formula C18H12ClN3O3S and a molecular weight of 385.83 g/mol. Its IUPAC name is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID7192867
Molecular FormulaC18H12ClN3O3S
Molecular Weight385.83 g/mol
Exact Mass385.03
IUPAC NameN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1c(Cl)ccc2sc(NC(=O)CN3C(=O)c4ccccc4C3=O)nc12
InChIInChI=1S/C18H12ClN3O3S/c1-9-12(19)6-7-13-15(9)21-18(26-13)20-14(23)8-22-16(24)10-4-2-3-5-11(10)17(22)25/h2-7H,8H2,1H3,(H,20,21,23)
InChIKeyHOVOPPRTRYXVND-UHFFFAOYSA-N
XLogP3.49
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 7192867) is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide is Cc1c(Cl)ccc2sc(NC(=O)CN3C(=O)c4ccccc4C3=O)nc12.
What is the InChIKey of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is HOVOPPRTRYXVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O3S/c1-9-12(19)6-7-13-15(9)21-18(26-13)20-14(23)8-22-16(24)10-4-2-3-5-11(10)17(22)25/h2-7H,8H2,1H3,(H,20,21,23).
What are the key properties of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 385.83 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 7192867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).