(4-methylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone

C13H18N6OS — CID 90508633

IUPAC(4-methylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
SMILESCc1nnsc1C(=O)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C13H18N6OS/c1-11-12(21-16-15-11)13(20)18-8-5-17(6-9-18)7-10-19-4-2-3-14-19/h2-4H,5-10H2,1H3
InChIKeyFRRWECQTCZVHNP-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.50
Rot. Bonds4

About (4-methylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone

(4-methylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone (PubChem CID 90508633) has the molecular formula C13H18N6OS and a molecular weight of 306.39 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
PubChem CID90508633
Molecular FormulaC13H18N6OS
Molecular Weight306.39 g/mol
Exact Mass306.13
IUPAC Name(4-methylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
SMILESCc1nnsc1C(=O)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C13H18N6OS/c1-11-12(21-16-15-11)13(20)18-8-5-17(6-9-18)7-10-19-4-2-3-14-19/h2-4H,5-10H2,1H3
InChIKeyFRRWECQTCZVHNP-UHFFFAOYSA-N
XLogP0.50
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone (CID 90508633) is (4-methylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone is Cc1nnsc1C(=O)N1CCN(CCn2cccn2)CC1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone?
The InChIKey is FRRWECQTCZVHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-11-12(21-16-15-11)13(20)18-8-5-17(6-9-18)7-10-19-4-2-3-14-19/h2-4H,5-10H2,1H3.
What are the key properties of (4-methylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone?
(4-methylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone has a molecular weight of 306.39 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 90508633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).