(4-methylthiadiazol-5-yl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C14H14F3N5OS — CID 2740563

IUPAC(4-methylthiadiazol-5-yl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1nnsc1C(=O)N1CCN(c2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C14H14F3N5OS/c1-9-12(24-20-19-9)13(23)22-6-4-21(5-7-22)11-8-10(2-3-18-11)14(15,16)17/h2-3,8H,4-7H2,1H3
InChIKeyOGRREJUVGQDRGV-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.22
Rot. Bonds2

About (4-methylthiadiazol-5-yl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

(4-methylthiadiazol-5-yl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 2740563) has the molecular formula C14H14F3N5OS and a molecular weight of 357.36 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID2740563
Molecular FormulaC14H14F3N5OS
Molecular Weight357.36 g/mol
Exact Mass357.09
IUPAC Name(4-methylthiadiazol-5-yl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1nnsc1C(=O)N1CCN(c2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C14H14F3N5OS/c1-9-12(24-20-19-9)13(23)22-6-4-21(5-7-22)11-8-10(2-3-18-11)14(15,16)17/h2-3,8H,4-7H2,1H3
InChIKeyOGRREJUVGQDRGV-UHFFFAOYSA-N
XLogP2.22
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 2740563) is (4-methylthiadiazol-5-yl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is Cc1nnsc1C(=O)N1CCN(c2cc(C(F)(F)F)ccn2)CC1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is OGRREJUVGQDRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5OS/c1-9-12(24-20-19-9)13(23)22-6-4-21(5-7-22)11-8-10(2-3-18-11)14(15,16)17/h2-3,8H,4-7H2,1H3.
What are the key properties of (4-methylthiadiazol-5-yl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
(4-methylthiadiazol-5-yl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 357.36 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 2740563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).