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

C16H20N4O2S — CID 56908154

IUPAC[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-morpholin-2-ylmethanone
SMILESO=C(C1CNCCO1)N1CCN(c2nsc3ccccc23)CC1
InChIInChI=1S/C16H20N4O2S/c21-16(13-11-17-5-10-22-13)20-8-6-19(7-9-20)15-12-3-1-2-4-14(12)23-18-15/h1-4,13,17H,5-11H2
InChIKeyRBWKUOVZDAJBMG-UHFFFAOYSA-N
MW332.43 g/mol
LogP0.93
Rot. Bonds2

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

[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-morpholin-2-ylmethanone (PubChem CID 56908154) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-morpholin-2-ylmethanone.

Molecular Properties

Compound Name[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-morpholin-2-ylmethanone
PubChem CID56908154
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-morpholin-2-ylmethanone
SMILESO=C(C1CNCCO1)N1CCN(c2nsc3ccccc23)CC1
InChIInChI=1S/C16H20N4O2S/c21-16(13-11-17-5-10-22-13)20-8-6-19(7-9-20)15-12-3-1-2-4-14(12)23-18-15/h1-4,13,17H,5-11H2
InChIKeyRBWKUOVZDAJBMG-UHFFFAOYSA-N
XLogP0.93
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-[(2R)-morpholin-2-yl]methanone
CID 95891534
[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119894256
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119848066
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119893646
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 118765457
1-(1,2-benzothiazol-3-yl)piperazine-2-carboxylic acid
CID 71646320
[4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119829453
[(2R)-morpholin-2-yl]-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 125178265
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 124696733
[4-(furan-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119673067
[4-(benzenesulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119678332
[1-(morpholine-2-carbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride
CID 119699768

Frequently Asked Questions

What is the IUPAC name of [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-morpholin-2-ylmethanone?
The IUPAC name of [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-morpholin-2-ylmethanone (CID 56908154) is [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-morpholin-2-ylmethanone.
What is the SMILES notation for [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-morpholin-2-ylmethanone?
The canonical SMILES for [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-morpholin-2-ylmethanone is O=C(C1CNCCO1)N1CCN(c2nsc3ccccc23)CC1.
What is the InChIKey of [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-morpholin-2-ylmethanone?
The InChIKey is RBWKUOVZDAJBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c21-16(13-11-17-5-10-22-13)20-8-6-19(7-9-20)15-12-3-1-2-4-14(12)23-18-15/h1-4,13,17H,5-11H2.
What are the key properties of [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-morpholin-2-ylmethanone?
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-morpholin-2-ylmethanone has a molecular weight of 332.43 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-morpholin-2-ylmethanone is sourced from PubChem (CID 56908154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).