N-(6-chloro-1,3-benzothiazol-2-yl)-3-morpholin-4-ylpropanamide

C14H16ClN3O2S — CID 110688525

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C14H16ClN3O2S/c15-10-1-2-11-12(9-10)21-14(16-11)17-13(19)3-4-18-5-7-20-8-6-18/h1-2,9H,3-8H2,(H,16,17,19)
InChIKeyZWYZPXFRHMVPLI-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.61
Rot. Bonds4

About N-(6-chloro-1,3-benzothiazol-2-yl)-3-morpholin-4-ylpropanamide

N-(6-chloro-1,3-benzothiazol-2-yl)-3-morpholin-4-ylpropanamide (PubChem CID 110688525) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-3-morpholin-4-ylpropanamide
PubChem CID110688525
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C14H16ClN3O2S/c15-10-1-2-11-12(9-10)21-14(16-11)17-13(19)3-4-18-5-7-20-8-6-18/h1-2,9H,3-8H2,(H,16,17,19)
InChIKeyZWYZPXFRHMVPLI-UHFFFAOYSA-N
XLogP2.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbutanamide
CID 59725477
N-(6-bromo-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylpropanamide
CID 170553043
6-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-oxohexanoic acid
CID 43529458
N-(6-chloro-1,3-benzothiazol-2-yl)-2-piperazin-1-ylacetamide
CID 43130620
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686662
2-(4-aminopiperidin-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 79322232
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide
CID 108740918
N-(6-chloro-1,3-benzothiazol-2-yl)morpholin-4-amine
CID 83018453
N-(6-chloro-1,3-benzothiazol-2-yl)-4-oxo-4-phenylbutanamide
CID 71454867
N-(6-chloro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 121028174
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
CID 46341352
2-chloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide
CID 17244599

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-morpholin-4-ylpropanamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-morpholin-4-ylpropanamide (CID 110688525) is N-(6-chloro-1,3-benzothiazol-2-yl)-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-3-morpholin-4-ylpropanamide is O=C(CCN1CCOCC1)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-3-morpholin-4-ylpropanamide?
The InChIKey is ZWYZPXFRHMVPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c15-10-1-2-11-12(9-10)21-14(16-11)17-13(19)3-4-18-5-7-20-8-6-18/h1-2,9H,3-8H2,(H,16,17,19).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-3-morpholin-4-ylpropanamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-3-morpholin-4-ylpropanamide has a molecular weight of 325.82 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 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)-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 110688525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).