2,4-dimethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole

C14H19N5S — CID 29085213

IUPAC2,4-dimethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCc1nc(C)c(CN2CCN(c3ncccn3)CC2)s1
InChIInChI=1S/C14H19N5S/c1-11-13(20-12(2)17-11)10-18-6-8-19(9-7-18)14-15-4-3-5-16-14/h3-5H,6-10H2,1-2H3
InChIKeyTWMDRUIQHOJNOZ-UHFFFAOYSA-N
MW289.41 g/mol
LogP1.87
Rot. Bonds3

About 2,4-dimethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole

2,4-dimethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 29085213) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is 2,4-dimethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID29085213
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name2,4-dimethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCc1nc(C)c(CN2CCN(c3ncccn3)CC2)s1
InChIInChI=1S/C14H19N5S/c1-11-13(20-12(2)17-11)10-18-6-8-19(9-7-18)14-15-4-3-5-16-14/h3-5H,6-10H2,1-2H3
InChIKeyTWMDRUIQHOJNOZ-UHFFFAOYSA-N
XLogP1.87
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole (CID 29085213) is 2,4-dimethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole is Cc1nc(C)c(CN2CCN(c3ncccn3)CC2)s1.
What is the InChIKey of 2,4-dimethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is TWMDRUIQHOJNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-11-13(20-12(2)17-11)10-18-6-8-19(9-7-18)14-15-4-3-5-16-14/h3-5H,6-10H2,1-2H3.
What are the key properties of 2,4-dimethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
2,4-dimethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 289.41 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 29085213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).