[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone

C14H16N4OS — CID 95828534

IUPAC[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESCc1nccc(C2CCN(C(=O)c3cncs3)CC2)n1
InChIInChI=1S/C14H16N4OS/c1-10-16-5-2-12(17-10)11-3-6-18(7-4-11)14(19)13-8-15-9-20-13/h2,5,8-9,11H,3-4,6-7H2,1H3
InChIKeyWJPISCJZTNVNAZ-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.26
Rot. Bonds2

About [4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone

[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 95828534) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is [4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID95828534
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESCc1nccc(C2CCN(C(=O)c3cncs3)CC2)n1
InChIInChI=1S/C14H16N4OS/c1-10-16-5-2-12(17-10)11-3-6-18(7-4-11)14(19)13-8-15-9-20-13/h2,5,8-9,11H,3-4,6-7H2,1H3
InChIKeyWJPISCJZTNVNAZ-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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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone (CID 95828534) is [4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone is Cc1nccc(C2CCN(C(=O)c3cncs3)CC2)n1.
What is the InChIKey of [4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is WJPISCJZTNVNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-10-16-5-2-12(17-10)11-3-6-18(7-4-11)14(19)13-8-15-9-20-13/h2,5,8-9,11H,3-4,6-7H2,1H3.
What are the key properties of [4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-5-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-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 95828534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).