(2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone

C13H14N2O3S — CID 177077642

IUPAC(2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone
SMILESCOc1nc2ccc(C(=O)N3CCOCC3)cc2s1
InChIInChI=1S/C13H14N2O3S/c1-17-13-14-10-3-2-9(8-11(10)19-13)12(16)15-4-6-18-7-5-15/h2-3,8H,4-7H2,1H3
InChIKeyCVFVDHUIRFSEMW-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.78
Rot. Bonds2

About (2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone

(2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone (PubChem CID 177077642) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is (2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone
PubChem CID177077642
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name(2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone
SMILESCOc1nc2ccc(C(=O)N3CCOCC3)cc2s1
InChIInChI=1S/C13H14N2O3S/c1-17-13-14-10-3-2-9(8-11(10)19-13)12(16)15-4-6-18-7-5-15/h2-3,8H,4-7H2,1H3
InChIKeyCVFVDHUIRFSEMW-UHFFFAOYSA-N
XLogP1.78
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone with MolForge

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Related Compounds

4-amino-N-[6-(morpholine-4-carbonyl)-1,3-benzothiazol-2-yl]benzamide
CID 1160398
2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carboxamide
CID 177077740
(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-(4-propylpiperazin-1-yl)methanone
CID 20889798
(2-methyl-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone
CID 3581764
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone
CID 22523538
2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carbonitrile
CID 177077639
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
1-[4-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]piperazin-1-yl]ethanone
CID 177077574
[2-(2-hydroxy-5-methoxyphenyl)-1,3-benzothiazol-6-yl]-pyrrolidin-1-ylmethanone
CID 135503693
(2-amino-1,3-benzothiazol-6-yl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride
CID 75366132

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone?
The IUPAC name of (2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone (CID 177077642) is (2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone is COc1nc2ccc(C(=O)N3CCOCC3)cc2s1.
What is the InChIKey of (2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone?
The InChIKey is CVFVDHUIRFSEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-17-13-14-10-3-2-9(8-11(10)19-13)12(16)15-4-6-18-7-5-15/h2-3,8H,4-7H2,1H3.
What are the key properties of (2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone?
(2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone has a molecular weight of 278.33 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 177077642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).