4-(1,3-benzothiazol-2-yl)-N-phenylpiperazine-1-carboxamide

C18H18N4OS — CID 888783

IUPAC4-(1,3-benzothiazol-2-yl)-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C18H18N4OS/c23-17(19-14-6-2-1-3-7-14)21-10-12-22(13-11-21)18-20-15-8-4-5-9-16(15)24-18/h1-9H,10-13H2,(H,19,23)
InChIKeyZPSAXOLPNUDKFO-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.65
Rot. Bonds2

About 4-(1,3-benzothiazol-2-yl)-N-phenylpiperazine-1-carboxamide

4-(1,3-benzothiazol-2-yl)-N-phenylpiperazine-1-carboxamide (PubChem CID 888783) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-phenylpiperazine-1-carboxamide
PubChem CID888783
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C18H18N4OS/c23-17(19-14-6-2-1-3-7-14)21-10-12-22(13-11-21)18-20-15-8-4-5-9-16(15)24-18/h1-9H,10-13H2,(H,19,23)
InChIKeyZPSAXOLPNUDKFO-UHFFFAOYSA-N
XLogP3.65
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-phenylpiperazine-1-carboxamide (CID 888783) is 4-(1,3-benzothiazol-2-yl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(c2nc3ccccc3s2)CC1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is ZPSAXOLPNUDKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c23-17(19-14-6-2-1-3-7-14)21-10-12-22(13-11-21)18-20-15-8-4-5-9-16(15)24-18/h1-9H,10-13H2,(H,19,23).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-phenylpiperazine-1-carboxamide?
4-(1,3-benzothiazol-2-yl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 888783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).