2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole

C19H21N5S — CID 92553711

IUPAC2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole
SMILESCc1cc(-c2nccs2)nc(C2CCN(Cc3ccncc3)CC2)n1
InChIInChI=1S/C19H21N5S/c1-14-12-17(19-21-8-11-25-19)23-18(22-14)16-4-9-24(10-5-16)13-15-2-6-20-7-3-15/h2-3,6-8,11-12,16H,4-5,9-10,13H2,1H3
InChIKeyIWFDHYHERULEDW-UHFFFAOYSA-N
MW351.48 g/mol
LogP3.68
Rot. Bonds4

About 2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole

2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole (PubChem CID 92553711) has the molecular formula C19H21N5S and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole
PubChem CID92553711
Molecular FormulaC19H21N5S
Molecular Weight351.48 g/mol
Exact Mass351.15
IUPAC Name2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole
SMILESCc1cc(-c2nccs2)nc(C2CCN(Cc3ccncc3)CC2)n1
InChIInChI=1S/C19H21N5S/c1-14-12-17(19-21-8-11-25-19)23-18(22-14)16-4-9-24(10-5-16)13-15-2-6-20-7-3-15/h2-3,6-8,11-12,16H,4-5,9-10,13H2,1H3
InChIKeyIWFDHYHERULEDW-UHFFFAOYSA-N
XLogP3.68
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole?
The IUPAC name of 2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole (CID 92553711) is 2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole is Cc1cc(-c2nccs2)nc(C2CCN(Cc3ccncc3)CC2)n1.
What is the InChIKey of 2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole?
The InChIKey is IWFDHYHERULEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5S/c1-14-12-17(19-21-8-11-25-19)23-18(22-14)16-4-9-24(10-5-16)13-15-2-6-20-7-3-15/h2-3,6-8,11-12,16H,4-5,9-10,13H2,1H3.
What are the key properties of 2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole?
2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole has a molecular weight of 351.48 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 92553711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).