2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone

C16H20N2O2S — CID 79826140

IUPAC2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
SMILESCC(C)N1CCOC(C(=O)Cc2nc3ccccc3s2)C1
InChIInChI=1S/C16H20N2O2S/c1-11(2)18-7-8-20-14(10-18)13(19)9-16-17-12-5-3-4-6-15(12)21-16/h3-6,11,14H,7-10H2,1-2H3
InChIKeyULHQGLVNMVCOKK-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.52
Rot. Bonds4

About 2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone

2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone (PubChem CID 79826140) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
PubChem CID79826140
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
SMILESCC(C)N1CCOC(C(=O)Cc2nc3ccccc3s2)C1
InChIInChI=1S/C16H20N2O2S/c1-11(2)18-7-8-20-14(10-18)13(19)9-16-17-12-5-3-4-6-15(12)21-16/h3-6,11,14H,7-10H2,1-2H3
InChIKeyULHQGLVNMVCOKK-UHFFFAOYSA-N
XLogP2.52
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1,3-benzothiazol-2-yl)ethanone
CID 79826138
3-phenyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-one
CID 79664689
1-(1,3-benzothiazol-2-yl)-3-hydroxybutan-2-one
CID 103451335
methyl 2-[(2R)-4-[(2R)-1-(1,3-benzothiazol-2-yl)propan-2-yl]morpholin-2-yl]acetate
CID 96548441
2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657291
2-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone
CID 79826120
N-(1,3-benzothiazol-2-yl)-2-(2-methylmorpholin-4-yl)propanamide
CID 60507938
[4-(1,3-benzothiazol-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163346253
3-(1,3-benzothiazol-2-yl)-1-[(2R)-2-phenylmorpholin-4-yl]propan-1-one
CID 35258822
1-(1,3-benzothiazol-2-yl)-4,5,5-trimethylhexan-2-one
CID 55260522
(2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanone
CID 79658227
2-(1,3-benzothiazol-2-yl)-1-(3-ethyl-1,4-dithian-2-yl)ethanone
CID 115386024

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone (CID 79826140) is 2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone is CC(C)N1CCOC(C(=O)Cc2nc3ccccc3s2)C1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
The InChIKey is ULHQGLVNMVCOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11(2)18-7-8-20-14(10-18)13(19)9-16-17-12-5-3-4-6-15(12)21-16/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone has a molecular weight of 304.41 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone is sourced from PubChem (CID 79826140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).