[2-(1,3-benzothiazol-2-yl)cyclohexyl]-morpholin-4-ylmethanone

C18H22N2O2S — CID 47007759

IUPAC[2-(1,3-benzothiazol-2-yl)cyclohexyl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCCC1c1nc2ccccc2s1)N1CCOCC1
InChIInChI=1S/C18H22N2O2S/c21-18(20-9-11-22-12-10-20)14-6-2-1-5-13(14)17-19-15-7-3-4-8-16(15)23-17/h3-4,7-8,13-14H,1-2,5-6,9-12H2
InChIKeyREUNDMQCFCEIHH-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.43
Rot. Bonds2

About [2-(1,3-benzothiazol-2-yl)cyclohexyl]-morpholin-4-ylmethanone

[2-(1,3-benzothiazol-2-yl)cyclohexyl]-morpholin-4-ylmethanone (PubChem CID 47007759) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is [2-(1,3-benzothiazol-2-yl)cyclohexyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(1,3-benzothiazol-2-yl)cyclohexyl]-morpholin-4-ylmethanone
PubChem CID47007759
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name[2-(1,3-benzothiazol-2-yl)cyclohexyl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCCC1c1nc2ccccc2s1)N1CCOCC1
InChIInChI=1S/C18H22N2O2S/c21-18(20-9-11-22-12-10-20)14-6-2-1-5-13(14)17-19-15-7-3-4-8-16(15)23-17/h3-4,7-8,13-14H,1-2,5-6,9-12H2
InChIKeyREUNDMQCFCEIHH-UHFFFAOYSA-N
XLogP3.43
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1,3-benzothiazol-2-yl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 24659727
[2-(1,3-benzothiazol-2-yl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 24672040
[(1S,2R)-2-(1,3-benzothiazol-2-yl)cyclohexyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 41183009
[(1S,2R)-2-(1,3-benzothiazol-2-yl)cyclohexyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 30906845
1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione
CID 9235840
(2-aminocyclopentyl)-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119830366
[6-(1,3-benzothiazol-2-yl)cyclohex-3-en-1-yl]-(1,4-thiazepan-4-yl)methanone
CID 86839907
[6-(1,3-benzothiazol-2-yl)cyclohex-3-en-1-yl]-(2-methylmorpholin-4-yl)methanone
CID 56811126
trans-(1R,2R)-N-(1,3-benzodioxol-5-yl)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 31670859
[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 51471043
[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 41012818
[3-(aminomethyl)pyrrolidin-1-yl]-[6-(1,3-benzothiazol-2-yl)cyclohex-3-en-1-yl]methanone
CID 119484424

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzothiazol-2-yl)cyclohexyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(1,3-benzothiazol-2-yl)cyclohexyl]-morpholin-4-ylmethanone (CID 47007759) is [2-(1,3-benzothiazol-2-yl)cyclohexyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(1,3-benzothiazol-2-yl)cyclohexyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(1,3-benzothiazol-2-yl)cyclohexyl]-morpholin-4-ylmethanone is O=C(C1CCCCC1c1nc2ccccc2s1)N1CCOCC1.
What is the InChIKey of [2-(1,3-benzothiazol-2-yl)cyclohexyl]-morpholin-4-ylmethanone?
The InChIKey is REUNDMQCFCEIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c21-18(20-9-11-22-12-10-20)14-6-2-1-5-13(14)17-19-15-7-3-4-8-16(15)23-17/h3-4,7-8,13-14H,1-2,5-6,9-12H2.
What are the key properties of [2-(1,3-benzothiazol-2-yl)cyclohexyl]-morpholin-4-ylmethanone?
[2-(1,3-benzothiazol-2-yl)cyclohexyl]-morpholin-4-ylmethanone has a molecular weight of 330.45 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzothiazol-2-yl)cyclohexyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 47007759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).