pyrimidin-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C12H13N5OS — CID 95828499

IUPACpyrimidin-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1cncnc1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H13N5OS/c18-11(10-7-13-9-14-8-10)16-2-4-17(5-3-16)12-15-1-6-19-12/h1,6-9H,2-5H2
InChIKeyCBNOFSASHXSJIO-UHFFFAOYSA-N
MW275.34 g/mol
LogP0.90
Rot. Bonds2

About pyrimidin-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

pyrimidin-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 95828499) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is pyrimidin-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namepyrimidin-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID95828499
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Namepyrimidin-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1cncnc1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H13N5OS/c18-11(10-7-13-9-14-8-10)16-2-4-17(5-3-16)12-15-1-6-19-12/h1,6-9H,2-5H2
InChIKeyCBNOFSASHXSJIO-UHFFFAOYSA-N
XLogP0.90
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of pyrimidin-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of pyrimidin-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 95828499) is pyrimidin-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for pyrimidin-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for pyrimidin-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is O=C(c1cncnc1)N1CCN(c2nccs2)CC1.
What is the InChIKey of pyrimidin-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is CBNOFSASHXSJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c18-11(10-7-13-9-14-8-10)16-2-4-17(5-3-16)12-15-1-6-19-12/h1,6-9H,2-5H2.
What are the key properties of pyrimidin-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
pyrimidin-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 275.34 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 95828499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).