(1-ethylbenzotriazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C16H18N6OS — CID 41433557

IUPAC(1-ethylbenzotriazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCCn1nnc2cc(C(=O)N3CCN(c4nccs4)CC3)ccc21
InChIInChI=1S/C16H18N6OS/c1-2-22-14-4-3-12(11-13(14)18-19-22)15(23)20-6-8-21(9-7-20)16-17-5-10-24-16/h3-5,10-11H,2,6-9H2,1H3
InChIKeyIQCWNAVUTXFGGE-UHFFFAOYSA-N
MW342.43 g/mol
LogP1.87
Rot. Bonds3

About (1-ethylbenzotriazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

(1-ethylbenzotriazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 41433557) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is (1-ethylbenzotriazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylbenzotriazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID41433557
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name(1-ethylbenzotriazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCCn1nnc2cc(C(=O)N3CCN(c4nccs4)CC3)ccc21
InChIInChI=1S/C16H18N6OS/c1-2-22-14-4-3-12(11-13(14)18-19-22)15(23)20-6-8-21(9-7-20)16-17-5-10-24-16/h3-5,10-11H,2,6-9H2,1H3
InChIKeyIQCWNAVUTXFGGE-UHFFFAOYSA-N
XLogP1.87
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-ethylbenzotriazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (1-ethylbenzotriazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 41433557) is (1-ethylbenzotriazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-ethylbenzotriazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (1-ethylbenzotriazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is CCn1nnc2cc(C(=O)N3CCN(c4nccs4)CC3)ccc21.
What is the InChIKey of (1-ethylbenzotriazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is IQCWNAVUTXFGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-2-22-14-4-3-12(11-13(14)18-19-22)15(23)20-6-8-21(9-7-20)16-17-5-10-24-16/h3-5,10-11H,2,6-9H2,1H3.
What are the key properties of (1-ethylbenzotriazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(1-ethylbenzotriazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 342.43 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylbenzotriazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 41433557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).