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

C13H14N4OS — CID 118739956

IUPACpyrimidin-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cncnc1)N1CCCC(c2nccs2)C1
InChIInChI=1S/C13H14N4OS/c18-13(11-6-14-9-15-7-11)17-4-1-2-10(8-17)12-16-3-5-19-12/h3,5-7,9-10H,1-2,4,8H2
InChIKeyGEFSUZQJFUTXGC-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.95
Rot. Bonds2

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

pyrimidin-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 118739956) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is pyrimidin-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyrimidin-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID118739956
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Namepyrimidin-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cncnc1)N1CCCC(c2nccs2)C1
InChIInChI=1S/C13H14N4OS/c18-13(11-6-14-9-15-7-11)17-4-1-2-10(8-17)12-16-3-5-19-12/h3,5-7,9-10H,1-2,4,8H2
InChIKeyGEFSUZQJFUTXGC-UHFFFAOYSA-N
XLogP1.95
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Cyclopropylpyrimidin-5-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 118739953
1-(4-Pyrimidin-2-ylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
CID 71684310
(2-Methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 110271243
(4-Methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 118740400
N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
CID 110466780
N-isopropyl-5-{[4-(1,3-thiazol-2-yl)piperazin-1-yl]carbonyl}pyrimidin-2-amine
CID 74240734
[2-(1,3-Thiazol-2-yl)morpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 121533101
[4-(1,3-Thiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 121550007
[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 124571883
[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 124571884
N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide
CID 128973981
[4-(5-Methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 139006330

Frequently Asked Questions

What is the IUPAC name of pyrimidin-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of pyrimidin-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 118739956) is pyrimidin-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for pyrimidin-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for pyrimidin-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is O=C(c1cncnc1)N1CCCC(c2nccs2)C1.
What is the InChIKey of pyrimidin-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is GEFSUZQJFUTXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c18-13(11-6-14-9-15-7-11)17-4-1-2-10(8-17)12-16-3-5-19-12/h3,5-7,9-10H,1-2,4,8H2.
What are the key properties of pyrimidin-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
pyrimidin-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 274.35 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 118739956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).