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

C13H18N6OS — CID 90533329

IUPAC[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C13H18N6OS/c1-11-12(21-16-15-11)13(20)19-8-6-17(7-9-19)4-5-18-3-2-14-10-18/h2-3,10H,4-9H2,1H3
InChIKeyORZVNLGERNEEFW-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.50
Rot. Bonds4

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

[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 90533329) has the molecular formula C13H18N6OS and a molecular weight of 306.39 g/mol. Its IUPAC name is [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID90533329
Molecular FormulaC13H18N6OS
Molecular Weight306.39 g/mol
Exact Mass306.13
IUPAC Name[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C13H18N6OS/c1-11-12(21-16-15-11)13(20)19-8-6-17(7-9-19)4-5-18-3-2-14-10-18/h2-3,10H,4-9H2,1H3
InChIKeyORZVNLGERNEEFW-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-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 90533329) is [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCN(CCn2ccnc2)CC1.
What is the InChIKey of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is ORZVNLGERNEEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-11-12(21-16-15-11)13(20)19-8-6-17(7-9-19)4-5-18-3-2-14-10-18/h2-3,10H,4-9H2,1H3.
What are the key properties of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylthiadiazol-5-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-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 90533329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).