4-[[5-(furan-2-yl)-4-phenylimidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole

C21H15N5OS — CID 50975172

IUPAC4-[[5-(furan-2-yl)-4-phenylimidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
SMILESc1ccc(-c2ncn(Cc3csc(-c4ncccn4)n3)c2-c2ccco2)cc1
InChIInChI=1S/C21H15N5OS/c1-2-6-15(7-3-1)18-19(17-8-4-11-27-17)26(14-24-18)12-16-13-28-21(25-16)20-22-9-5-10-23-20/h1-11,13-14H,12H2
InChIKeyCXUKATXPIFTASP-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.77
Rot. Bonds5

About 4-[[5-(furan-2-yl)-4-phenylimidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole

4-[[5-(furan-2-yl)-4-phenylimidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole (PubChem CID 50975172) has the molecular formula C21H15N5OS and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-[[5-(furan-2-yl)-4-phenylimidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[[5-(furan-2-yl)-4-phenylimidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
PubChem CID50975172
Molecular FormulaC21H15N5OS
Molecular Weight385.45 g/mol
Exact Mass385.10
IUPAC Name4-[[5-(furan-2-yl)-4-phenylimidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
SMILESc1ccc(-c2ncn(Cc3csc(-c4ncccn4)n3)c2-c2ccco2)cc1
InChIInChI=1S/C21H15N5OS/c1-2-6-15(7-3-1)18-19(17-8-4-11-27-17)26(14-24-18)12-16-13-28-21(25-16)20-22-9-5-10-23-20/h1-11,13-14H,12H2
InChIKeyCXUKATXPIFTASP-UHFFFAOYSA-N
XLogP4.77
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[5-(furan-2-yl)-4-phenylimidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole 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-(1-((1H-Imidazo[4,5-b]pyridin-2-yl)methyl)piperidin-4-yl)-4-(benzofuran-2-yl)thiazole
CID 162675169
2,3-Di-furan-2-yl-5-imidazol-1-ylmethyl-pyridine
CID 57329786
N-(4-tert-Butyl-thiazol-2-yl)-2-[1-furan-2-ylmethyl-5-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-acetamide
CID 1451092
5-[4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole
CID 2999109
(6-(4-Fluorophenyl)-3-methylimidazo[2,1-b]thiazol-2-yl)(4-(furan-2-carbonyl)piperazin-1-yl)methanone
CID 5310375
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 7998465
1-Benzyl-4-(furan-2-yl)imidazo[4,5-c]pyridine
CID 145977493
4-(1-Benzofuran-2-yl)-2-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 166625289
4-(1-Benzofuran-2-yl)-2-[1-(imidazo[1,2-b]pyridazin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 166627360
4-(1-Benzofuran-2-yl)-2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 166629193
2-[2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazol-4-yl]furo[3,2-b]pyridine
CID 166629878
4-(1-benzofuran-2-yl)-2-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 166631330

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(furan-2-yl)-4-phenylimidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole?
The IUPAC name of 4-[[5-(furan-2-yl)-4-phenylimidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole (CID 50975172) is 4-[[5-(furan-2-yl)-4-phenylimidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[[5-(furan-2-yl)-4-phenylimidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole?
The canonical SMILES for 4-[[5-(furan-2-yl)-4-phenylimidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole is c1ccc(-c2ncn(Cc3csc(-c4ncccn4)n3)c2-c2ccco2)cc1.
What is the InChIKey of 4-[[5-(furan-2-yl)-4-phenylimidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole?
The InChIKey is CXUKATXPIFTASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5OS/c1-2-6-15(7-3-1)18-19(17-8-4-11-27-17)26(14-24-18)12-16-13-28-21(25-16)20-22-9-5-10-23-20/h1-11,13-14H,12H2.
What are the key properties of 4-[[5-(furan-2-yl)-4-phenylimidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole?
4-[[5-(furan-2-yl)-4-phenylimidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole has a molecular weight of 385.45 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(furan-2-yl)-4-phenylimidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole is sourced from PubChem (CID 50975172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).