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

C15H18N4OS — CID 118740400

IUPAC(4-methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
SMILESCc1ncncc1C(=O)N1CCCC(Cc2nccs2)C1
InChIInChI=1S/C15H18N4OS/c1-11-13(8-16-10-18-11)15(20)19-5-2-3-12(9-19)7-14-17-4-6-21-14/h4,6,8,10,12H,2-3,5,7,9H2,1H3
InChIKeyULHPACLBACRXRM-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.34
Rot. Bonds3

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

(4-methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone (PubChem CID 118740400) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is (4-methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
PubChem CID118740400
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name(4-methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
SMILESCc1ncncc1C(=O)N1CCCC(Cc2nccs2)C1
InChIInChI=1S/C15H18N4OS/c1-11-13(8-16-10-18-11)15(20)19-5-2-3-12(9-19)7-14-17-4-6-21-14/h4,6,8,10,12H,2-3,5,7,9H2,1H3
InChIKeyULHPACLBACRXRM-UHFFFAOYSA-N
XLogP2.34
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone (CID 118740400) is (4-methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone is Cc1ncncc1C(=O)N1CCCC(Cc2nccs2)C1.
What is the InChIKey of (4-methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is ULHPACLBACRXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-11-13(8-16-10-18-11)15(20)19-5-2-3-12(9-19)7-14-17-4-6-21-14/h4,6,8,10,12H,2-3,5,7,9H2,1H3.
What are the key properties of (4-methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone?
(4-methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 302.40 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 118740400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).