[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone

C15H22N6OS — CID 90508827

IUPAC[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1cc(C)n(CCN2CCN(C(=O)c3snnc3C)CC2)n1
InChIInChI=1S/C15H22N6OS/c1-11-10-12(2)21(17-11)9-6-19-4-7-20(8-5-19)15(22)14-13(3)16-18-23-14/h10H,4-9H2,1-3H3
InChIKeySVCDZFDDCRWWSZ-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.12
Rot. Bonds4

About [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone

[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 90508827) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID90508827
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC Name[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1cc(C)n(CCN2CCN(C(=O)c3snnc3C)CC2)n1
InChIInChI=1S/C15H22N6OS/c1-11-10-12(2)21(17-11)9-6-19-4-7-20(8-5-19)15(22)14-13(3)16-18-23-14/h10H,4-9H2,1-3H3
InChIKeySVCDZFDDCRWWSZ-UHFFFAOYSA-N
XLogP1.12
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 90508827) is [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1cc(C)n(CCN2CCN(C(=O)c3snnc3C)CC2)n1.
What is the InChIKey of [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is SVCDZFDDCRWWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-11-10-12(2)21(17-11)9-6-19-4-7-20(8-5-19)15(22)14-13(3)16-18-23-14/h10H,4-9H2,1-3H3.
What are the key properties of [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 334.45 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 90508827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).