[4-(4-fluorophenyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone

C14H15FN4OS — CID 2812820

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H15FN4OS/c1-10-13(21-17-16-10)14(20)19-8-6-18(7-9-19)12-4-2-11(15)3-5-12/h2-5H,6-9H2,1H3
InChIKeyKMHAJHJVMVIHQT-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.95
Rot. Bonds2

About [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone

[4-(4-fluorophenyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 2812820) has the molecular formula C14H15FN4OS and a molecular weight of 306.37 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID2812820
Molecular FormulaC14H15FN4OS
Molecular Weight306.37 g/mol
Exact Mass306.10
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H15FN4OS/c1-10-13(21-17-16-10)14(20)19-8-6-18(7-9-19)12-4-2-11(15)3-5-12/h2-5H,6-9H2,1H3
InChIKeyKMHAJHJVMVIHQT-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 2812820) is [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is KMHAJHJVMVIHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4OS/c1-10-13(21-17-16-10)14(20)19-8-6-18(7-9-19)12-4-2-11(15)3-5-12/h2-5H,6-9H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 306.37 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 2812820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).