2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C19H23FN4OS — CID 17066571

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C19H23FN4OS/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/h5-8H,1-4,9-13H2,(H,21,22,25)
InChIKeySDZUDSRDVIEZQZ-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.92
Rot. Bonds4

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 17066571) has the molecular formula C19H23FN4OS and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID17066571
Molecular FormulaC19H23FN4OS
Molecular Weight374.49 g/mol
Exact Mass374.16
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C19H23FN4OS/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/h5-8H,1-4,9-13H2,(H,21,22,25)
InChIKeySDZUDSRDVIEZQZ-UHFFFAOYSA-N
XLogP2.92
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 17066571) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is SDZUDSRDVIEZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4OS/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/h5-8H,1-4,9-13H2,(H,21,22,25).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 374.49 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 17066571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).