4-(1-methylimidazol-2-yl)-1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperidin-4-ol

C16H18N6OS — CID 138050515

IUPAC4-(1-methylimidazol-2-yl)-1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperidin-4-ol
SMILESCn1ccnc1C1(O)CCN(c2ccnc(-c3nccs3)n2)CC1
InChIInChI=1S/C16H18N6OS/c1-21-10-6-19-15(21)16(23)3-8-22(9-4-16)12-2-5-17-13(20-12)14-18-7-11-24-14/h2,5-7,10-11,23H,3-4,8-9H2,1H3
InChIKeyXUTWLTQFAIPGPO-UHFFFAOYSA-N
MW342.43 g/mol
LogP1.82
Rot. Bonds3

About 4-(1-methylimidazol-2-yl)-1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperidin-4-ol

4-(1-methylimidazol-2-yl)-1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperidin-4-ol (PubChem CID 138050515) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)-1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)-1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperidin-4-ol
PubChem CID138050515
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name4-(1-methylimidazol-2-yl)-1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperidin-4-ol
SMILESCn1ccnc1C1(O)CCN(c2ccnc(-c3nccs3)n2)CC1
InChIInChI=1S/C16H18N6OS/c1-21-10-6-19-15(21)16(23)3-8-22(9-4-16)12-2-5-17-13(20-12)14-18-7-11-24-14/h2,5-7,10-11,23H,3-4,8-9H2,1H3
InChIKeyXUTWLTQFAIPGPO-UHFFFAOYSA-N
XLogP1.82
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(1-methylimidazol-2-yl)-1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperidin-4-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)-1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 4-(1-methylimidazol-2-yl)-1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperidin-4-ol (CID 138050515) is 4-(1-methylimidazol-2-yl)-1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)-1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 4-(1-methylimidazol-2-yl)-1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperidin-4-ol is Cn1ccnc1C1(O)CCN(c2ccnc(-c3nccs3)n2)CC1.
What is the InChIKey of 4-(1-methylimidazol-2-yl)-1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is XUTWLTQFAIPGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-21-10-6-19-15(21)16(23)3-8-22(9-4-16)12-2-5-17-13(20-12)14-18-7-11-24-14/h2,5-7,10-11,23H,3-4,8-9H2,1H3.
What are the key properties of 4-(1-methylimidazol-2-yl)-1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperidin-4-ol?
4-(1-methylimidazol-2-yl)-1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 342.43 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)-1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 138050515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).