N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide

C12H9ClN4O3S — CID 110686818

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CNC1=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C12H9ClN4O3S/c13-6-1-2-7-8(3-6)21-11(15-7)16-9(18)5-17-10(19)4-14-12(17)20/h1-3H,4-5H2,(H,14,20)(H,15,16,18)
InChIKeyXEBFHVSVCWTZTL-UHFFFAOYSA-N
MW324.75 g/mol
LogP1.44
Rot. Bonds3

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 110686818) has the molecular formula C12H9ClN4O3S and a molecular weight of 324.75 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID110686818
Molecular FormulaC12H9ClN4O3S
Molecular Weight324.75 g/mol
Exact Mass324.01
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CNC1=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C12H9ClN4O3S/c13-6-1-2-7-8(3-6)21-11(15-7)16-9(18)5-17-10(19)4-14-12(17)20/h1-3H,4-5H2,(H,14,20)(H,15,16,18)
InChIKeyXEBFHVSVCWTZTL-UHFFFAOYSA-N
XLogP1.44
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.75
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 43130620
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
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2-(4-aminopiperidin-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 79322232
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide
CID 9192706
2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 18854197
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 2109067
2-tert-butylsulfanyl-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 112794492
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
6-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-oxohexanoic acid
CID 43529458
N-(6-chloro-1,3-benzothiazol-2-yl)-2-phosphonatoacetamide
CID 2075016
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
CID 39764740
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
CID 110703608

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide (CID 110686818) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide is O=C(CN1C(=O)CNC1=O)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is XEBFHVSVCWTZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O3S/c13-6-1-2-7-8(3-6)21-11(15-7)16-9(18)5-17-10(19)4-14-12(17)20/h1-3H,4-5H2,(H,14,20)(H,15,16,18).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 324.75 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 110686818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).