[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C15H16FN3OS — CID 5297317

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H16FN3OS/c1-11-14(21-10-17-11)15(20)19-8-6-18(7-9-19)13-4-2-12(16)3-5-13/h2-5,10H,6-9H2,1H3
InChIKeyLCDDITYCJCWGEZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.55
Rot. Bonds2

About [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 5297317) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID5297317
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H16FN3OS/c1-11-14(21-10-17-11)15(20)19-8-6-18(7-9-19)13-4-2-12(16)3-5-13/h2-5,10H,6-9H2,1H3
InChIKeyLCDDITYCJCWGEZ-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 5297317) is [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1ncsc1C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is LCDDITYCJCWGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c1-11-14(21-10-17-11)15(20)19-8-6-18(7-9-19)13-4-2-12(16)3-5-13/h2-5,10H,6-9H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 305.38 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 5297317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).