2-chloro-N-(6-chloro-4-ethyl-1,3-benzothiazol-2-yl)propanamide

C12H12Cl2N2OS — CID 17244625

IUPAC2-chloro-N-(6-chloro-4-ethyl-1,3-benzothiazol-2-yl)propanamide
SMILESCCc1cc(Cl)cc2sc(NC(=O)C(C)Cl)nc12
InChIInChI=1S/C12H12Cl2N2OS/c1-3-7-4-8(14)5-9-10(7)15-12(18-9)16-11(17)6(2)13/h4-6H,3H2,1-2H3,(H,15,16,17)
InChIKeyUBHLUNYNVISMJA-UHFFFAOYSA-N
MW303.21 g/mol
LogP4.08
Rot. Bonds3

About 2-chloro-N-(6-chloro-4-ethyl-1,3-benzothiazol-2-yl)propanamide

2-chloro-N-(6-chloro-4-ethyl-1,3-benzothiazol-2-yl)propanamide (PubChem CID 17244625) has the molecular formula C12H12Cl2N2OS and a molecular weight of 303.21 g/mol. Its IUPAC name is 2-chloro-N-(6-chloro-4-ethyl-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(6-chloro-4-ethyl-1,3-benzothiazol-2-yl)propanamide
PubChem CID17244625
Molecular FormulaC12H12Cl2N2OS
Molecular Weight303.21 g/mol
Exact Mass302.00
IUPAC Name2-chloro-N-(6-chloro-4-ethyl-1,3-benzothiazol-2-yl)propanamide
SMILESCCc1cc(Cl)cc2sc(NC(=O)C(C)Cl)nc12
InChIInChI=1S/C12H12Cl2N2OS/c1-3-7-4-8(14)5-9-10(7)15-12(18-9)16-11(17)6(2)13/h4-6H,3H2,1-2H3,(H,15,16,17)
InChIKeyUBHLUNYNVISMJA-UHFFFAOYSA-N
XLogP4.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4,6-dichloro-1,3-benzothiazol-2-yl)propanamide
CID 17244612
(2S)-2-bromo-N-(6-chloro-4-ethyl-1,3-benzothiazol-2-yl)hexanamide
CID 28662774
2-bromo-N-(6-chloro-4-ethyl-1,3-benzothiazol-2-yl)hexanamide
CID 17244777
(2S)-N-(4-bromo-6-chloro-1,3-benzothiazol-2-yl)-2-chloropropanamide
CID 28662008
(2R)-2-bromo-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)butanamide
CID 28662156
(2S)-2-bromo-N-(6-chloro-4-propan-2-yl-1,3-benzothiazol-2-yl)pentanamide
CID 28662530
(2S)-2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)propanamide
CID 28661952
2-acetamido-4-ethyl-1,3-benzothiazole-6-carboxylic acid
CID 87933707
(2R)-N-[6-[(2S)-butan-2-yl]-1,3-benzothiazol-2-yl]-2-chloropropanamide
CID 28662068
2-bromo-N-(6-bromo-4-ethyl-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244827
(2S)-N-(5-bromo-6-methyl-1,3-benzothiazol-2-yl)-2-chloropropanamide
CID 28661972
(2S)-2-chloro-N-[6-[(2S)-1-methoxypropan-2-yl]oxy-1,3-benzothiazol-2-yl]propanamide
CID 28662124

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-chloro-4-ethyl-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 2-chloro-N-(6-chloro-4-ethyl-1,3-benzothiazol-2-yl)propanamide (CID 17244625) is 2-chloro-N-(6-chloro-4-ethyl-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 2-chloro-N-(6-chloro-4-ethyl-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 2-chloro-N-(6-chloro-4-ethyl-1,3-benzothiazol-2-yl)propanamide is CCc1cc(Cl)cc2sc(NC(=O)C(C)Cl)nc12.
What is the InChIKey of 2-chloro-N-(6-chloro-4-ethyl-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is UBHLUNYNVISMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2OS/c1-3-7-4-8(14)5-9-10(7)15-12(18-9)16-11(17)6(2)13/h4-6H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 2-chloro-N-(6-chloro-4-ethyl-1,3-benzothiazol-2-yl)propanamide?
2-chloro-N-(6-chloro-4-ethyl-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 303.21 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-chloro-4-ethyl-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 17244625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).