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

C15H21N5S — CID 51086528

IUPAC2-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCC(C)c1nc(CN2CCN(c3ncccn3)CC2)cs1
InChIInChI=1S/C15H21N5S/c1-12(2)14-18-13(11-21-14)10-19-6-8-20(9-7-19)15-16-4-3-5-17-15/h3-5,11-12H,6-10H2,1-2H3
InChIKeyPZUGZMDRVQMNPG-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.38
Rot. Bonds4

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

2-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 51086528) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is 2-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID51086528
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC Name2-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCC(C)c1nc(CN2CCN(c3ncccn3)CC2)cs1
InChIInChI=1S/C15H21N5S/c1-12(2)14-18-13(11-21-14)10-19-6-8-20(9-7-19)15-16-4-3-5-17-15/h3-5,11-12H,6-10H2,1-2H3
InChIKeyPZUGZMDRVQMNPG-UHFFFAOYSA-N
XLogP2.38
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole (CID 51086528) is 2-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole is CC(C)c1nc(CN2CCN(c3ncccn3)CC2)cs1.
What is the InChIKey of 2-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is PZUGZMDRVQMNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-12(2)14-18-13(11-21-14)10-19-6-8-20(9-7-19)15-16-4-3-5-17-15/h3-5,11-12H,6-10H2,1-2H3.
What are the key properties of 2-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
2-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 303.44 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 51086528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).