cyclopropyl-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

C15H16FN3OS — CID 7292591

IUPACcyclopropyl-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2nc3ccc(F)cc3s2)CC1
InChIInChI=1S/C15H16FN3OS/c16-11-3-4-12-13(9-11)21-15(17-12)19-7-5-18(6-8-19)14(20)10-1-2-10/h3-4,9-10H,1-2,5-8H2
InChIKeyRUAFBDMLVAAKMG-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.49
Rot. Bonds2

About cyclopropyl-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

cyclopropyl-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 7292591) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is cyclopropyl-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
PubChem CID7292591
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC Namecyclopropyl-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2nc3ccc(F)cc3s2)CC1
InChIInChI=1S/C15H16FN3OS/c16-11-3-4-12-13(9-11)21-15(17-12)19-7-5-18(6-8-19)14(20)10-1-2-10/h3-4,9-10H,1-2,5-8H2
InChIKeyRUAFBDMLVAAKMG-UHFFFAOYSA-N
XLogP2.49
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone (CID 7292591) is cyclopropyl-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(c2nc3ccc(F)cc3s2)CC1.
What is the InChIKey of cyclopropyl-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is RUAFBDMLVAAKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c16-11-3-4-12-13(9-11)21-15(17-12)19-7-5-18(6-8-19)14(20)10-1-2-10/h3-4,9-10H,1-2,5-8H2.
What are the key properties of cyclopropyl-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
cyclopropyl-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 305.38 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 7292591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).