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

C19H18ClN3OS — CID 9238431

IUPAC[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-chlorophenyl)methanone
SMILESO=C(c1ccccc1Cl)N1CCN(Cc2nc3ccccc3s2)CC1
InChIInChI=1S/C19H18ClN3OS/c20-15-6-2-1-5-14(15)19(24)23-11-9-22(10-12-23)13-18-21-16-7-3-4-8-17(16)25-18/h1-8H,9-13H2
InChIKeyUHSDQUJJLCIQKU-UHFFFAOYSA-N
MW371.89 g/mol
LogP3.91
Rot. Bonds3

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

[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-chlorophenyl)methanone (PubChem CID 9238431) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-chlorophenyl)methanone
PubChem CID9238431
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC Name[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-chlorophenyl)methanone
SMILESO=C(c1ccccc1Cl)N1CCN(Cc2nc3ccccc3s2)CC1
InChIInChI=1S/C19H18ClN3OS/c20-15-6-2-1-5-14(15)19(24)23-11-9-22(10-12-23)13-18-21-16-7-3-4-8-17(16)25-18/h1-8H,9-13H2
InChIKeyUHSDQUJJLCIQKU-UHFFFAOYSA-N
XLogP3.91
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
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-ylmethyl)piperazin-1-yl]-(2-chlorophenyl)methanone?
The IUPAC name of [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-chlorophenyl)methanone (CID 9238431) is [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-chlorophenyl)methanone.
What is the SMILES notation for [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-chlorophenyl)methanone?
The canonical SMILES for [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-chlorophenyl)methanone is O=C(c1ccccc1Cl)N1CCN(Cc2nc3ccccc3s2)CC1.
What is the InChIKey of [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-chlorophenyl)methanone?
The InChIKey is UHSDQUJJLCIQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c20-15-6-2-1-5-14(15)19(24)23-11-9-22(10-12-23)13-18-21-16-7-3-4-8-17(16)25-18/h1-8H,9-13H2.
What are the key properties of [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-chlorophenyl)methanone?
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-chlorophenyl)methanone has a molecular weight of 371.89 g/mol, XLogP of 3.91, 3 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-ylmethyl)piperazin-1-yl]-(2-chlorophenyl)methanone is sourced from PubChem (CID 9238431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).