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

C18H21FN4OS — CID 126892840

IUPAC[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CC(N3CCN(c4ccc(F)cc4)CC3)C2)cs1
InChIInChI=1S/C18H21FN4OS/c1-13-20-17(12-25-13)18(24)23-10-16(11-23)22-8-6-21(7-9-22)15-4-2-14(19)3-5-15/h2-5,12,16H,6-11H2,1H3
InChIKeyMNKUFWOWMIRTAC-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.24
Rot. Bonds3

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

[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 126892840) has the molecular formula C18H21FN4OS and a molecular weight of 360.46 g/mol. Its IUPAC name is [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID126892840
Molecular FormulaC18H21FN4OS
Molecular Weight360.46 g/mol
Exact Mass360.14
IUPAC Name[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CC(N3CCN(c4ccc(F)cc4)CC3)C2)cs1
InChIInChI=1S/C18H21FN4OS/c1-13-20-17(12-25-13)18(24)23-10-16(11-23)22-8-6-21(7-9-22)15-4-2-14(19)3-5-15/h2-5,12,16H,6-11H2,1H3
InChIKeyMNKUFWOWMIRTAC-UHFFFAOYSA-N
XLogP2.24
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 126892840) is [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CC(N3CCN(c4ccc(F)cc4)CC3)C2)cs1.
What is the InChIKey of [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is MNKUFWOWMIRTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4OS/c1-13-20-17(12-25-13)18(24)23-10-16(11-23)22-8-6-21(7-9-22)15-4-2-14(19)3-5-15/h2-5,12,16H,6-11H2,1H3.
What are the key properties of [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 360.46 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 126892840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).