N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

C19H19FN4OS — CID 6466219

IUPACN-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nc2ccccc2s1
InChIInChI=1S/C19H19FN4OS/c20-14-5-7-15(8-6-14)24-11-9-23(10-12-24)13-18(25)22-19-21-16-3-1-2-4-17(16)26-19/h1-8H,9-13H2,(H,21,22,25)
InChIKeyMDPOSDDTAIEHBL-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.20
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 6466219) has the molecular formula C19H19FN4OS and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID6466219
Molecular FormulaC19H19FN4OS
Molecular Weight370.45 g/mol
Exact Mass370.13
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nc2ccccc2s1
InChIInChI=1S/C19H19FN4OS/c20-14-5-7-15(8-6-14)24-11-9-23(10-12-24)13-18(25)22-19-21-16-3-1-2-4-17(16)26-19/h1-8H,9-13H2,(H,21,22,25)
InChIKeyMDPOSDDTAIEHBL-UHFFFAOYSA-N
XLogP3.20
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (CID 6466219) is N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is MDPOSDDTAIEHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS/c20-14-5-7-15(8-6-14)24-11-9-23(10-12-24)13-18(25)22-19-21-16-3-1-2-4-17(16)26-19/h1-8H,9-13H2,(H,21,22,25).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 370.45 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 6466219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).