1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidin-4-ol

C18H20N4OS2 — CID 44525328

IUPAC1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidin-4-ol
SMILESCc1nc(-c2nc(N3CCC(O)CC3)ncc2-c2ccsc2)sc1C
InChIInChI=1S/C18H20N4OS2/c1-11-12(2)25-17(20-11)16-15(13-5-8-24-10-13)9-19-18(21-16)22-6-3-14(23)4-7-22/h5,8-10,14,23H,3-4,6-7H2,1-2H3
InChIKeyCTMLHVAIVFNEIB-UHFFFAOYSA-N
MW372.52 g/mol
LogP3.91
Rot. Bonds3

About 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidin-4-ol

1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidin-4-ol (PubChem CID 44525328) has the molecular formula C18H20N4OS2 and a molecular weight of 372.52 g/mol. Its IUPAC name is 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidin-4-ol
PubChem CID44525328
Molecular FormulaC18H20N4OS2
Molecular Weight372.52 g/mol
Exact Mass372.11
IUPAC Name1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidin-4-ol
SMILESCc1nc(-c2nc(N3CCC(O)CC3)ncc2-c2ccsc2)sc1C
InChIInChI=1S/C18H20N4OS2/c1-11-12(2)25-17(20-11)16-15(13-5-8-24-10-13)9-19-18(21-16)22-6-3-14(23)4-7-22/h5,8-10,14,23H,3-4,6-7H2,1-2H3
InChIKeyCTMLHVAIVFNEIB-UHFFFAOYSA-N
XLogP3.91
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-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 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidin-4-ol (CID 44525328) is 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidin-4-ol is Cc1nc(-c2nc(N3CCC(O)CC3)ncc2-c2ccsc2)sc1C.
What is the InChIKey of 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidin-4-ol?
The InChIKey is CTMLHVAIVFNEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS2/c1-11-12(2)25-17(20-11)16-15(13-5-8-24-10-13)9-19-18(21-16)22-6-3-14(23)4-7-22/h5,8-10,14,23H,3-4,6-7H2,1-2H3.
What are the key properties of 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidin-4-ol?
1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidin-4-ol has a molecular weight of 372.52 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 44525328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).