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

C13H14ClN3O2S — CID 6489804

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C13H14ClN3O2S/c14-9-1-2-10-11(7-9)20-13(15-10)16-12(18)8-17-3-5-19-6-4-17/h1-2,7H,3-6,8H2,(H,15,16,18)
InChIKeyRDDYEVRYPOZXNA-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.22
Rot. Bonds3

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

N-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide (PubChem CID 6489804) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide
PubChem CID6489804
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C13H14ClN3O2S/c14-9-1-2-10-11(7-9)20-13(15-10)16-12(18)8-17-3-5-19-6-4-17/h1-2,7H,3-6,8H2,(H,15,16,18)
InChIKeyRDDYEVRYPOZXNA-UHFFFAOYSA-N
XLogP2.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 959639
sEH inhibitor-5
CID 162383180
N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 673490
N-[6-(methylsulfonyl)benzothiazol-2-yl]-2-morpholin-4-ylacetamide
CID 1271512
1-[4-(6-Chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 2746594
N-(5-Acetylamino-benzothiazol-2-yl)-2-morpholin-4-yl-acetamide
CID 3163704
4-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 3191997
1-[4-(6-Chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one
CID 7539094
4-(4-Chlorobenzo[d]thiazol-2-yl)morpholine
CID 3237878
6-Chloro-2-(piperidin-1-yl)benzo[d]thiazole
CID 2741379
N-(6-chloro-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
CID 3279021
3-(6-Chloro-1,3-benzothiazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
CID 11955172

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide (CID 6489804) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide?
The InChIKey is RDDYEVRYPOZXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c14-9-1-2-10-11(7-9)20-13(15-10)16-12(18)8-17-3-5-19-6-4-17/h1-2,7H,3-6,8H2,(H,15,16,18).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide has a molecular weight of 311.79 g/mol, XLogP of 2.22, 3 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)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 6489804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).