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

C18H16ClN3OS — CID 1484935

IUPAC[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C18H16ClN3OS/c19-14-7-5-13(6-8-14)17(23)21-9-11-22(12-10-21)18-20-15-3-1-2-4-16(15)24-18/h1-8H,9-12H2
InChIKeyLCAQNHDORKWHII-UHFFFAOYSA-N
MW357.87 g/mol
LogP3.91
Rot. Bonds2

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

[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone (PubChem CID 1484935) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone
PubChem CID1484935
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C18H16ClN3OS/c19-14-7-5-13(6-8-14)17(23)21-9-11-22(12-10-21)18-20-15-3-1-2-4-16(15)24-18/h1-8H,9-12H2
InChIKeyLCAQNHDORKWHII-UHFFFAOYSA-N
XLogP3.91
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone (CID 1484935) is [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)N1CCN(c2nc3ccccc3s2)CC1.
What is the InChIKey of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone?
The InChIKey is LCAQNHDORKWHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c19-14-7-5-13(6-8-14)17(23)21-9-11-22(12-10-21)18-20-15-3-1-2-4-16(15)24-18/h1-8H,9-12H2.
What are the key properties of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone?
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone has a molecular weight of 357.87 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 1484935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).