1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol

C15H21N5OS — CID 56801756

IUPAC1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(Cc2csc(-c3ncccn3)n2)CC1
InChIInChI=1S/C15H21N5OS/c1-12(21)9-19-5-7-20(8-6-19)10-13-11-22-15(18-13)14-16-3-2-4-17-14/h2-4,11-12,21H,5-10H2,1H3
InChIKeyPUIUGJHIROMXDQ-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.10
Rot. Bonds5

About 1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol

1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol (PubChem CID 56801756) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
PubChem CID56801756
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(Cc2csc(-c3ncccn3)n2)CC1
InChIInChI=1S/C15H21N5OS/c1-12(21)9-19-5-7-20(8-6-19)10-13-11-22-15(18-13)14-16-3-2-4-17-14/h2-4,11-12,21H,5-10H2,1H3
InChIKeyPUIUGJHIROMXDQ-UHFFFAOYSA-N
XLogP1.10
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol (CID 56801756) is 1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol is CC(O)CN1CCN(Cc2csc(-c3ncccn3)n2)CC1.
What is the InChIKey of 1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is PUIUGJHIROMXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-12(21)9-19-5-7-20(8-6-19)10-13-11-22-15(18-13)14-16-3-2-4-17-14/h2-4,11-12,21H,5-10H2,1H3.
What are the key properties of 1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol?
1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 319.43 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 56801756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).