cyclopropyl-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

C16H19N3O2S — CID 7539384

IUPACcyclopropyl-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
SMILESCOc1cccc2sc(N3CCN(C(=O)C4CC4)CC3)nc12
InChIInChI=1S/C16H19N3O2S/c1-21-12-3-2-4-13-14(12)17-16(22-13)19-9-7-18(8-10-19)15(20)11-5-6-11/h2-4,11H,5-10H2,1H3
InChIKeyMFCGPFNRHWUBPJ-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.36
Rot. Bonds3

About cyclopropyl-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

cyclopropyl-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 7539384) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is cyclopropyl-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
PubChem CID7539384
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Namecyclopropyl-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
SMILESCOc1cccc2sc(N3CCN(C(=O)C4CC4)CC3)nc12
InChIInChI=1S/C16H19N3O2S/c1-21-12-3-2-4-13-14(12)17-16(22-13)19-9-7-18(8-10-19)15(20)11-5-6-11/h2-4,11H,5-10H2,1H3
InChIKeyMFCGPFNRHWUBPJ-UHFFFAOYSA-N
XLogP2.36
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-benzhydrylpiperazin-1-yl)-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone
CID 121127866
N-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide
CID 171328849
[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 121127853
[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172903478
[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 43983088
[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 41116057
cyclohexyl-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7292682
(2,6-dimethylmorpholin-4-yl)-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone
CID 121127864
1-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,3-trimethylurea
CID 166603719
[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 165435619
2-(4-ethylpiperazin-1-yl)-4-methoxy-1,3-benzothiazole
CID 16849815
(4-butylcyclohexyl)-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 43982497

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone (CID 7539384) is cyclopropyl-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone is COc1cccc2sc(N3CCN(C(=O)C4CC4)CC3)nc12.
What is the InChIKey of cyclopropyl-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is MFCGPFNRHWUBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-21-12-3-2-4-13-14(12)17-16(22-13)19-9-7-18(8-10-19)15(20)11-5-6-11/h2-4,11H,5-10H2,1H3.
What are the key properties of cyclopropyl-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
cyclopropyl-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 317.41 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 7539384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).