[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-(furan-2-yl)methanone

C18H16FN3O2S — CID 992692

IUPAC[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C18H16FN3O2S/c19-14-5-3-13(4-6-14)15-12-25-18(20-15)22-9-7-21(8-10-22)17(23)16-2-1-11-24-16/h1-6,11-12H,7-10H2
InChIKeyIPTGPGWNNBAVMW-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.50
Rot. Bonds3

About [4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 992692) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is [4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID992692
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C18H16FN3O2S/c19-14-5-3-13(4-6-14)15-12-25-18(20-15)22-9-7-21(8-10-22)17(23)16-2-1-11-24-16/h1-6,11-12H,7-10H2
InChIKeyIPTGPGWNNBAVMW-UHFFFAOYSA-N
XLogP3.50
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-(furan-2-yl)methanone (CID 992692) is [4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of [4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is IPTGPGWNNBAVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c19-14-5-3-13(4-6-14)15-12-25-18(20-15)22-9-7-21(8-10-22)17(23)16-2-1-11-24-16/h1-6,11-12H,7-10H2.
What are the key properties of [4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 357.41 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 992692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).