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

C15H18N4OS — CID 110271243

IUPAC(2-methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
SMILESCc1ncc(C(=O)N2CCCC(Cc3nccs3)C2)cn1
InChIInChI=1S/C15H18N4OS/c1-11-17-8-13(9-18-11)15(20)19-5-2-3-12(10-19)7-14-16-4-6-21-14/h4,6,8-9,12H,2-3,5,7,10H2,1H3
InChIKeyREGUEVAVYGNOJO-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.34
Rot. Bonds3

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

(2-methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone (PubChem CID 110271243) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is (2-methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
PubChem CID110271243
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name(2-methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
SMILESCc1ncc(C(=O)N2CCCC(Cc3nccs3)C2)cn1
InChIInChI=1S/C15H18N4OS/c1-11-17-8-13(9-18-11)15(20)19-5-2-3-12(10-19)7-14-16-4-6-21-14/h4,6,8-9,12H,2-3,5,7,10H2,1H3
InChIKeyREGUEVAVYGNOJO-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-Cyclopropylpyrimidin-5-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 118739953
2-ethyl-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-5-pyrimidinecarboxamide
CID 72854014
Pyrimidin-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 118739956
(4-Methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 118740400
N-isopropyl-5-{[4-(1,3-thiazol-2-yl)piperazin-1-yl]carbonyl}pyrimidin-2-amine
CID 74240734
N-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 75425823
2-cyclopropyl-N-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxamide
CID 97936007
N-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
CID 155776226
US20240246937, Example 361
CID 166103933
[4-(1,3-Thiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 121550007
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 (2-methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone (CID 110271243) is (2-methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone is Cc1ncc(C(=O)N2CCCC(Cc3nccs3)C2)cn1.
What is the InChIKey of (2-methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is REGUEVAVYGNOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-11-17-8-13(9-18-11)15(20)19-5-2-3-12(10-19)7-14-16-4-6-21-14/h4,6,8-9,12H,2-3,5,7,10H2,1H3.
What are the key properties of (2-methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone?
(2-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 (2-methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110271243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).