[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

C14H16N4OS — CID 95824390

IUPAC[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1cncnc1C1CCN(C(=O)c2cscn2)CC1
InChIInChI=1S/C14H16N4OS/c1-10-6-15-8-16-13(10)11-2-4-18(5-3-11)14(19)12-7-20-9-17-12/h6-9,11H,2-5H2,1H3
InChIKeyOODOSCAIHIQGFZ-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.26
Rot. Bonds2

About [4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 95824390) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is [4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID95824390
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1cncnc1C1CCN(C(=O)c2cscn2)CC1
InChIInChI=1S/C14H16N4OS/c1-10-6-15-8-16-13(10)11-2-4-18(5-3-11)14(19)12-7-20-9-17-12/h6-9,11H,2-5H2,1H3
InChIKeyOODOSCAIHIQGFZ-UHFFFAOYSA-N
XLogP2.26
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 118789382
[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63037207
[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 92564314
cyclopropyl-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 63049768
[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 143704110
[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 118787753
[(3S)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95824375
[(3R)-1,1-dioxothiolan-3-yl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 126428924
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125012156
[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125012155
(3-propylpyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 115667248

Frequently Asked Questions

What is the IUPAC name of [4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 95824390) is [4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is Cc1cncnc1C1CCN(C(=O)c2cscn2)CC1.
What is the InChIKey of [4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is OODOSCAIHIQGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-10-6-15-8-16-13(10)11-2-4-18(5-3-11)14(19)12-7-20-9-17-12/h6-9,11H,2-5H2,1H3.
What are the key properties of [4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 288.38 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 95824390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).