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

C10H7Cl3N2OS — CID 17244612

IUPAC2-chloro-N-(4,6-dichloro-1,3-benzothiazol-2-yl)propanamide
SMILESCC(Cl)C(=O)Nc1nc2c(Cl)cc(Cl)cc2s1
InChIInChI=1S/C10H7Cl3N2OS/c1-4(11)9(16)15-10-14-8-6(13)2-5(12)3-7(8)17-10/h2-4H,1H3,(H,14,15,16)
InChIKeyIEHURCVYEWKVJW-UHFFFAOYSA-N
MW309.61 g/mol
LogP4.17
Rot. Bonds2

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

2-chloro-N-(4,6-dichloro-1,3-benzothiazol-2-yl)propanamide (PubChem CID 17244612) has the molecular formula C10H7Cl3N2OS and a molecular weight of 309.61 g/mol. Its IUPAC name is 2-chloro-N-(4,6-dichloro-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(4,6-dichloro-1,3-benzothiazol-2-yl)propanamide
PubChem CID17244612
Molecular FormulaC10H7Cl3N2OS
Molecular Weight309.61 g/mol
Exact Mass307.93
IUPAC Name2-chloro-N-(4,6-dichloro-1,3-benzothiazol-2-yl)propanamide
SMILESCC(Cl)C(=O)Nc1nc2c(Cl)cc(Cl)cc2s1
InChIInChI=1S/C10H7Cl3N2OS/c1-4(11)9(16)15-10-14-8-6(13)2-5(12)3-7(8)17-10/h2-4H,1H3,(H,14,15,16)
InChIKeyIEHURCVYEWKVJW-UHFFFAOYSA-N
XLogP4.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.61
LogP ≤ 54.17
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

(2S)-N-(4-bromo-6-chloro-1,3-benzothiazol-2-yl)-2-chloropropanamide
CID 28662008
2-chloro-N-(6-chloro-4-ethyl-1,3-benzothiazol-2-yl)propanamide
CID 17244625
2-N,6-N-bis(4,6-dichloro-1,3-benzothiazol-2-yl)pyridine-2,6-dicarboxamide
CID 43989361
(2S)-2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)propanamide
CID 28661952
(2R)-2-bromo-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)butanamide
CID 28662156
(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)-2-bromo-N-(6-chloro-4-propan-2-yl-1,3-benzothiazol-2-yl)pentanamide
CID 28662530
(2S)-2-bromo-N-(4-chloro-6-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 28662247
(2R)-2-bromo-N-(4-chloro-6-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 28662245
(2S)-2-bromo-N-(4-chloro-6-fluoro-1,3-benzothiazol-2-yl)hexanamide
CID 28662731
N-(4,6-dichloro-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 2159265

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,6-dichloro-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 2-chloro-N-(4,6-dichloro-1,3-benzothiazol-2-yl)propanamide (CID 17244612) is 2-chloro-N-(4,6-dichloro-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 2-chloro-N-(4,6-dichloro-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 2-chloro-N-(4,6-dichloro-1,3-benzothiazol-2-yl)propanamide is CC(Cl)C(=O)Nc1nc2c(Cl)cc(Cl)cc2s1.
What is the InChIKey of 2-chloro-N-(4,6-dichloro-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is IEHURCVYEWKVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3N2OS/c1-4(11)9(16)15-10-14-8-6(13)2-5(12)3-7(8)17-10/h2-4H,1H3,(H,14,15,16).
What are the key properties of 2-chloro-N-(4,6-dichloro-1,3-benzothiazol-2-yl)propanamide?
2-chloro-N-(4,6-dichloro-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 309.61 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,6-dichloro-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 17244612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).