(4-ethylthiadiazol-5-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone

C17H21FN4O2S — CID 35350041

IUPAC(4-ethylthiadiazol-5-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCN(Cc2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C17H21FN4O2S/c1-3-14-16(25-20-19-14)17(23)22-8-6-21(7-9-22)11-12-4-5-15(24-2)13(18)10-12/h4-5,10H,3,6-9,11H2,1-2H3
InChIKeyILHWAXIKMQEJNS-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.21
Rot. Bonds5

About (4-ethylthiadiazol-5-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone

(4-ethylthiadiazol-5-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 35350041) has the molecular formula C17H21FN4O2S and a molecular weight of 364.45 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID35350041
Molecular FormulaC17H21FN4O2S
Molecular Weight364.45 g/mol
Exact Mass364.14
IUPAC Name(4-ethylthiadiazol-5-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCN(Cc2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C17H21FN4O2S/c1-3-14-16(25-20-19-14)17(23)22-8-6-21(7-9-22)11-12-4-5-15(24-2)13(18)10-12/h4-5,10H,3,6-9,11H2,1-2H3
InChIKeyILHWAXIKMQEJNS-UHFFFAOYSA-N
XLogP2.21
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone (CID 35350041) is (4-ethylthiadiazol-5-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone is CCc1nnsc1C(=O)N1CCN(Cc2ccc(OC)c(F)c2)CC1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is ILHWAXIKMQEJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2S/c1-3-14-16(25-20-19-14)17(23)22-8-6-21(7-9-22)11-12-4-5-15(24-2)13(18)10-12/h4-5,10H,3,6-9,11H2,1-2H3.
What are the key properties of (4-ethylthiadiazol-5-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone?
(4-ethylthiadiazol-5-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 35350041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).