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

C16H12Cl2N2O2S — CID 108802384

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenoxy)propanamide
SMILESO=C(CCOc1ccccc1Cl)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C16H12Cl2N2O2S/c17-10-5-6-12-14(9-10)23-16(19-12)20-15(21)7-8-22-13-4-2-1-3-11(13)18/h1-6,9H,7-8H2,(H,19,20,21)
InChIKeyLLCYVYQPRUDBAR-UHFFFAOYSA-N
MW367.26 g/mol
LogP5.01
Rot. Bonds5

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

N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenoxy)propanamide (PubChem CID 108802384) has the molecular formula C16H12Cl2N2O2S and a molecular weight of 367.26 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenoxy)propanamide
PubChem CID108802384
Molecular FormulaC16H12Cl2N2O2S
Molecular Weight367.26 g/mol
Exact Mass366.00
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenoxy)propanamide
SMILESO=C(CCOc1ccccc1Cl)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C16H12Cl2N2O2S/c17-10-5-6-12-14(9-10)23-16(19-12)20-15(21)7-8-22-13-4-2-1-3-11(13)18/h1-6,9H,7-8H2,(H,19,20,21)
InChIKeyLLCYVYQPRUDBAR-UHFFFAOYSA-N
XLogP5.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.26
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,5-dichlorophenoxy)acetamide
CID 108761849
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-chlorophenoxy)butanamide
CID 108761864
N-(6-chloro-1,3-benzothiazol-2-yl)-4-oxo-4-phenylbutanamide
CID 71454867
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 108761865
4-(2-chlorophenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]butanamide
CID 108763482
6-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-oxohexanoic acid
CID 43529458
3-(4-chlorophenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 108747725
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-methylphenoxy)butanamide
CID 108761854
4-(4-tert-butylphenoxy)-N-(6-chloro-1,3-benzothiazol-2-yl)butanamide
CID 7942434
2-(1-bromonaphthalen-2-yl)oxy-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 54783479
N-(1,3-benzothiazol-2-yl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 1289042
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenoxy)propanamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenoxy)propanamide (CID 108802384) is N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenoxy)propanamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenoxy)propanamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenoxy)propanamide is O=C(CCOc1ccccc1Cl)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenoxy)propanamide?
The InChIKey is LLCYVYQPRUDBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2S/c17-10-5-6-12-14(9-10)23-16(19-12)20-15(21)7-8-22-13-4-2-1-3-11(13)18/h1-6,9H,7-8H2,(H,19,20,21).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenoxy)propanamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenoxy)propanamide has a molecular weight of 367.26 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenoxy)propanamide is sourced from PubChem (CID 108802384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).