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

C17H19N5O2S — CID 172903478

IUPAC[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCOc1cccc2sc(N3CCN(C(=O)c4cnn(C)c4)CC3)nc12
InChIInChI=1S/C17H19N5O2S/c1-20-11-12(10-18-20)16(23)21-6-8-22(9-7-21)17-19-15-13(24-2)4-3-5-14(15)25-17/h3-5,10-11H,6-9H2,1-2H3
InChIKeyOXWKZGZZDQMCEU-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.00
Rot. Bonds3

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

[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 172903478) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID172903478
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCOc1cccc2sc(N3CCN(C(=O)c4cnn(C)c4)CC3)nc12
InChIInChI=1S/C17H19N5O2S/c1-20-11-12(10-18-20)16(23)21-6-8-22(9-7-21)17-19-15-13(24-2)4-3-5-14(15)25-17/h3-5,10-11H,6-9H2,1-2H3
InChIKeyOXWKZGZZDQMCEU-UHFFFAOYSA-N
XLogP2.00
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.00
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]-(4-phenylphenyl)methanone
CID 41116057
[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 43983088
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]-(3-propan-2-ylsulfanylphenyl)methanone
CID 41147227
[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-pentoxyphenyl)methanone
CID 41116108
[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 41115812
(3,4-dimethoxyphenyl)-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539236
[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172898649
[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone
CID 7539422
(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-(4-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 41116102

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 172903478) is [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone is COc1cccc2sc(N3CCN(C(=O)c4cnn(C)c4)CC3)nc12.
What is the InChIKey of [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is OXWKZGZZDQMCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-20-11-12(10-18-20)16(23)21-6-8-22(9-7-21)17-19-15-13(24-2)4-3-5-14(15)25-17/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 357.44 g/mol, XLogP of 2.00, 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]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 172903478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).