[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone

C18H21N5OS — CID 25284534

IUPAC[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCCc1ccc2nc(N3CCN(C(=O)c4ccnn4C)CC3)sc2c1
InChIInChI=1S/C18H21N5OS/c1-3-13-4-5-14-16(12-13)25-18(20-14)23-10-8-22(9-11-23)17(24)15-6-7-19-21(15)2/h4-7,12H,3,8-11H2,1-2H3
InChIKeyYKAUKAYQFMMGRT-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.55
Rot. Bonds3

About [4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone

[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 25284534) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is [4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID25284534
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCCc1ccc2nc(N3CCN(C(=O)c4ccnn4C)CC3)sc2c1
InChIInChI=1S/C18H21N5OS/c1-3-13-4-5-14-16(12-13)25-18(20-14)23-10-8-22(9-11-23)17(24)15-6-7-19-21(15)2/h4-7,12H,3,8-11H2,1-2H3
InChIKeyYKAUKAYQFMMGRT-UHFFFAOYSA-N
XLogP2.55
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 25284534) is [4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone is CCc1ccc2nc(N3CCN(C(=O)c4ccnn4C)CC3)sc2c1.
What is the InChIKey of [4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is YKAUKAYQFMMGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-3-13-4-5-14-16(12-13)25-18(20-14)23-10-8-22(9-11-23)17(24)15-6-7-19-21(15)2/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of [4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 355.47 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 25284534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).