4-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide

C14H17N3O3S — CID 166602705

IUPAC4-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)C1CN(c2nc3cc(OC)ccc3s2)CCO1
InChIInChI=1S/C14H17N3O3S/c1-15-13(18)11-8-17(5-6-20-11)14-16-10-7-9(19-2)3-4-12(10)21-14/h3-4,7,11H,5-6,8H2,1-2H3,(H,15,18)
InChIKeyWBUVAHYNBHYXLR-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.26
Rot. Bonds3

About 4-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide

4-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide (PubChem CID 166602705) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide
PubChem CID166602705
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name4-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)C1CN(c2nc3cc(OC)ccc3s2)CCO1
InChIInChI=1S/C14H17N3O3S/c1-15-13(18)11-8-17(5-6-20-11)14-16-10-7-9(19-2)3-4-12(10)21-14/h3-4,7,11H,5-6,8H2,1-2H3,(H,15,18)
InChIKeyWBUVAHYNBHYXLR-UHFFFAOYSA-N
XLogP1.26
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-chloro-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide
CID 166602787
(2R)-4-(3-methoxyphenyl)-N-methylmorpholine-2-carboxamide
CID 95841946
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 163346079
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpiperidine-4-carboxamide
CID 71802530
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)azetidine-3-carboxamide
CID 121128799
4-[1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine
CID 172900508
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide
CID 121128800
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-prop-2-enylazetidine-3-carboxamide
CID 121128670
N-(4-chlorophenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128719
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-methylbutyl)azetidine-3-carboxamide
CID 121128671
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-methylphenyl)azetidine-3-carboxamide
CID 121128707
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylmorpholine-4-carboxamide
CID 172892330

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide?
The IUPAC name of 4-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide (CID 166602705) is 4-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for 4-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide?
The canonical SMILES for 4-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide is CNC(=O)C1CN(c2nc3cc(OC)ccc3s2)CCO1.
What is the InChIKey of 4-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide?
The InChIKey is WBUVAHYNBHYXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-15-13(18)11-8-17(5-6-20-11)14-16-10-7-9(19-2)3-4-12(10)21-14/h3-4,7,11H,5-6,8H2,1-2H3,(H,15,18).
What are the key properties of 4-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide?
4-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 166602705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).