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

C14H17F2N5OS — CID 138019275

IUPAC2,2-difluoro-3-[4-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol
SMILESOCC(F)(F)CN1CCN(c2ccnc(-c3nccs3)n2)CC1
InChIInChI=1S/C14H17F2N5OS/c15-14(16,10-22)9-20-4-6-21(7-5-20)11-1-2-17-12(19-11)13-18-3-8-23-13/h1-3,8,22H,4-7,9-10H2
InChIKeyMBWBTCHEOAAXKJ-UHFFFAOYSA-N
MW341.39 g/mol
LogP1.35
Rot. Bonds5

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

2,2-difluoro-3-[4-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol (PubChem CID 138019275) has the molecular formula C14H17F2N5OS and a molecular weight of 341.39 g/mol. Its IUPAC name is 2,2-difluoro-3-[4-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[4-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol
PubChem CID138019275
Molecular FormulaC14H17F2N5OS
Molecular Weight341.39 g/mol
Exact Mass341.11
IUPAC Name2,2-difluoro-3-[4-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol
SMILESOCC(F)(F)CN1CCN(c2ccnc(-c3nccs3)n2)CC1
InChIInChI=1S/C14H17F2N5OS/c15-14(16,10-22)9-20-4-6-21(7-5-20)11-1-2-17-12(19-11)13-18-3-8-23-13/h1-3,8,22H,4-7,9-10H2
InChIKeyMBWBTCHEOAAXKJ-UHFFFAOYSA-N
XLogP1.35
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[4-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[4-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol (CID 138019275) is 2,2-difluoro-3-[4-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[4-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[4-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol is OCC(F)(F)CN1CCN(c2ccnc(-c3nccs3)n2)CC1.
What is the InChIKey of 2,2-difluoro-3-[4-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol?
The InChIKey is MBWBTCHEOAAXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5OS/c15-14(16,10-22)9-20-4-6-21(7-5-20)11-1-2-17-12(19-11)13-18-3-8-23-13/h1-3,8,22H,4-7,9-10H2.
What are the key properties of 2,2-difluoro-3-[4-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol?
2,2-difluoro-3-[4-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol has a molecular weight of 341.39 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[4-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 138019275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).