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

C18H17FN4OS — CID 3240234

IUPAC4-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C18H17FN4OS/c19-13-5-7-14(8-6-13)20-17(24)22-9-11-23(12-10-22)18-21-15-3-1-2-4-16(15)25-18/h1-8H,9-12H2,(H,20,24)
InChIKeyNIGGSJPHSLPOQK-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.79
Rot. Bonds2

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

4-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 3240234) has the molecular formula C18H17FN4OS and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID3240234
Molecular FormulaC18H17FN4OS
Molecular Weight356.43 g/mol
Exact Mass356.11
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C18H17FN4OS/c19-13-5-7-14(8-6-13)20-17(24)22-9-11-23(12-10-22)18-21-15-3-1-2-4-16(15)25-18/h1-8H,9-12H2,(H,20,24)
InChIKeyNIGGSJPHSLPOQK-UHFFFAOYSA-N
XLogP3.79
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.79
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-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide (CID 3240234) is 4-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCN(c2nc3ccccc3s2)CC1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is NIGGSJPHSLPOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS/c19-13-5-7-14(8-6-13)20-17(24)22-9-11-23(12-10-22)18-21-15-3-1-2-4-16(15)25-18/h1-8H,9-12H2,(H,20,24).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide?
4-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 3.79, 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-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 3240234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).