4-(6-chloro-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide

C13H14ClN3O2S — CID 166602787

IUPAC4-(6-chloro-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)C1CN(c2nc3ccc(Cl)cc3s2)CCO1
InChIInChI=1S/C13H14ClN3O2S/c1-15-12(18)10-7-17(4-5-19-10)13-16-9-3-2-8(14)6-11(9)20-13/h2-3,6,10H,4-5,7H2,1H3,(H,15,18)
InChIKeyDNYKUVMXINNKFL-UHFFFAOYSA-N
MW311.79 g/mol
LogP1.90
Rot. Bonds2

About 4-(6-chloro-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide

4-(6-chloro-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide (PubChem CID 166602787) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 4-(6-chloro-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-(6-chloro-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide
PubChem CID166602787
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name4-(6-chloro-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)C1CN(c2nc3ccc(Cl)cc3s2)CCO1
InChIInChI=1S/C13H14ClN3O2S/c1-15-12(18)10-7-17(4-5-19-10)13-16-9-3-2-8(14)6-11(9)20-13/h2-3,6,10H,4-5,7H2,1H3,(H,15,18)
InChIKeyDNYKUVMXINNKFL-UHFFFAOYSA-N
XLogP1.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide
CID 166602705
N-cyclopropyl-4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine-2-carboxamide
CID 155981171
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 44917313
4-(6-chloro-1,3-benzothiazol-2-yl)morpholine
CID 2741382
[4-(6-bromo-1,3-benzothiazol-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 155981583
6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 7110134
N-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 165434395
ethyl (3R)-1-(6-chloro-1,3-benzothiazol-2-yl)piperidine-3-carboxylate
CID 67454156
(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 7027208
N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 5084878
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopentylmethanone
CID 43982262
6-chloro-2-(4-ethylpiperidin-1-yl)-1,3-benzothiazole
CID 71083482

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide?
The IUPAC name of 4-(6-chloro-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide (CID 166602787) is 4-(6-chloro-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for 4-(6-chloro-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide?
The canonical SMILES for 4-(6-chloro-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide is CNC(=O)C1CN(c2nc3ccc(Cl)cc3s2)CCO1.
What is the InChIKey of 4-(6-chloro-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide?
The InChIKey is DNYKUVMXINNKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-15-12(18)10-7-17(4-5-19-10)13-16-9-3-2-8(14)6-11(9)20-13/h2-3,6,10H,4-5,7H2,1H3,(H,15,18).
What are the key properties of 4-(6-chloro-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide?
4-(6-chloro-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide has a molecular weight of 311.79 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 166602787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).