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

C13H14ClN3O2S — CID 17244599

IUPAC2-chloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CCl)Nc1nc2ccc(N3CCOCC3)cc2s1
InChIInChI=1S/C13H14ClN3O2S/c14-8-12(18)16-13-15-10-2-1-9(7-11(10)20-13)17-3-5-19-6-4-17/h1-2,7H,3-6,8H2,(H,15,16,18)
InChIKeyXWEMONDPJICNOG-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.31
Rot. Bonds3

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

2-chloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 17244599) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 2-chloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide
PubChem CID17244599
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name2-chloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CCl)Nc1nc2ccc(N3CCOCC3)cc2s1
InChIInChI=1S/C13H14ClN3O2S/c14-8-12(18)16-13-15-10-2-1-9(7-11(10)20-13)17-3-5-19-6-4-17/h1-2,7H,3-6,8H2,(H,15,16,18)
InChIKeyXWEMONDPJICNOG-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide
CID 40613036
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-phenylbenzamide
CID 40613052
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylbenzamide
CID 40606717
2-(5-methyl-1H-indol-3-yl)-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide
CID 170317966
2-chloro-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 4685074
4-fluoro-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 3542044
N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide
CID 2384252
4-morpholin-4-yl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 146405943
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide
CID 40604029
N-(6-chloro-1,3-benzothiazol-2-yl)-3-morpholin-4-ylpropanamide
CID 110688525
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405944
4-ethoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 4000752

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide (CID 17244599) is 2-chloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide is O=C(CCl)Nc1nc2ccc(N3CCOCC3)cc2s1.
What is the InChIKey of 2-chloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is XWEMONDPJICNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c14-8-12(18)16-13-15-10-2-1-9(7-11(10)20-13)17-3-5-19-6-4-17/h1-2,7H,3-6,8H2,(H,15,16,18).
What are the key properties of 2-chloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide?
2-chloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 311.79 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 17244599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).