4-ethyl-2-[[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,3-thiazole

C16H22N4S — CID 136551063

IUPAC4-ethyl-2-[[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,3-thiazole
SMILESCCc1csc(CC2CCN(Cc3ncccn3)CC2)n1
InChIInChI=1S/C16H22N4S/c1-2-14-12-21-16(19-14)10-13-4-8-20(9-5-13)11-15-17-6-3-7-18-15/h3,6-7,12-13H,2,4-5,8-11H2,1H3
InChIKeyWSYVUYNGDPMVRX-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.95
Rot. Bonds5

About 4-ethyl-2-[[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,3-thiazole

4-ethyl-2-[[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,3-thiazole (PubChem CID 136551063) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 4-ethyl-2-[[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2-[[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,3-thiazole
PubChem CID136551063
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name4-ethyl-2-[[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,3-thiazole
SMILESCCc1csc(CC2CCN(Cc3ncccn3)CC2)n1
InChIInChI=1S/C16H22N4S/c1-2-14-12-21-16(19-14)10-13-4-8-20(9-5-13)11-15-17-6-3-7-18-15/h3,6-7,12-13H,2,4-5,8-11H2,1H3
InChIKeyWSYVUYNGDPMVRX-UHFFFAOYSA-N
XLogP2.95
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-ethyl-2-[[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,3-thiazole (CID 136551063) is 4-ethyl-2-[[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2-[[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-ethyl-2-[[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,3-thiazole is CCc1csc(CC2CCN(Cc3ncccn3)CC2)n1.
What is the InChIKey of 4-ethyl-2-[[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,3-thiazole?
The InChIKey is WSYVUYNGDPMVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-2-14-12-21-16(19-14)10-13-4-8-20(9-5-13)11-15-17-6-3-7-18-15/h3,6-7,12-13H,2,4-5,8-11H2,1H3.
What are the key properties of 4-ethyl-2-[[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,3-thiazole?
4-ethyl-2-[[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,3-thiazole has a molecular weight of 302.45 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 136551063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).