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

C17H17N5O2S — CID 43983088

IUPAC[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
SMILESCOc1cccc2sc(N3CCN(C(=O)c4cnccn4)CC3)nc12
InChIInChI=1S/C17H17N5O2S/c1-24-13-3-2-4-14-15(13)20-17(25-14)22-9-7-21(8-10-22)16(23)12-11-18-5-6-19-12/h2-6,11H,7-10H2,1H3
InChIKeyCSVXMNPNKJZXKY-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.06
Rot. Bonds3

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

[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 43983088) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
PubChem CID43983088
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
SMILESCOc1cccc2sc(N3CCN(C(=O)c4cnccn4)CC3)nc12
InChIInChI=1S/C17H17N5O2S/c1-24-13-3-2-4-14-15(13)20-17(25-14)22-9-7-21(8-10-22)16(23)12-11-18-5-6-19-12/h2-6,11H,7-10H2,1H3
InChIKeyCSVXMNPNKJZXKY-UHFFFAOYSA-N
XLogP2.06
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172903478
cyclopropyl-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539384
[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 41116057
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 110741654
[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-pentoxyphenyl)methanone
CID 41116108
4-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole
CID 154581269
(2-ethylsulfonylphenyl)-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 41028536
(2-ethylsulfanylphenyl)-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7578587
[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
CID 41116243
[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-propan-2-ylsulfanylphenyl)methanone
CID 41147227
[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 41115812
[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl] pyridine-2-carboxylate
CID 90606419

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone (CID 43983088) is [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone is COc1cccc2sc(N3CCN(C(=O)c4cnccn4)CC3)nc12.
What is the InChIKey of [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is CSVXMNPNKJZXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-24-13-3-2-4-14-15(13)20-17(25-14)22-9-7-21(8-10-22)16(23)12-11-18-5-6-19-12/h2-6,11H,7-10H2,1H3.
What are the key properties of [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone?
[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 355.42 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 43983088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).