(2,6-dimethyl-3-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone

C16H22N4OS — CID 71986149

IUPAC(2,6-dimethyl-3-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(C3=NCC(C)S3)CC2)c(C)n1
InChIInChI=1S/C16H22N4OS/c1-11-4-5-14(13(3)18-11)15(21)19-6-8-20(9-7-19)16-17-10-12(2)22-16/h4-5,12H,6-10H2,1-3H3
InChIKeyGQHLOFXLWJRSET-UHFFFAOYSA-N
MW318.45 g/mol
LogP1.95
Rot. Bonds1

About (2,6-dimethyl-3-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone

(2,6-dimethyl-3-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 71986149) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is (2,6-dimethyl-3-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethyl-3-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID71986149
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name(2,6-dimethyl-3-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(C3=NCC(C)S3)CC2)c(C)n1
InChIInChI=1S/C16H22N4OS/c1-11-4-5-14(13(3)18-11)15(21)19-6-8-20(9-7-19)16-17-10-12(2)22-16/h4-5,12H,6-10H2,1-3H3
InChIKeyGQHLOFXLWJRSET-UHFFFAOYSA-N
XLogP1.95
TPSA48.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-3-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,6-dimethyl-3-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 71986149) is (2,6-dimethyl-3-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethyl-3-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,6-dimethyl-3-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(C3=NCC(C)S3)CC2)c(C)n1.
What is the InChIKey of (2,6-dimethyl-3-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is GQHLOFXLWJRSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-11-4-5-14(13(3)18-11)15(21)19-6-8-20(9-7-19)16-17-10-12(2)22-16/h4-5,12H,6-10H2,1-3H3.
What are the key properties of (2,6-dimethyl-3-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(2,6-dimethyl-3-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 318.45 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-3-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 71986149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).