2-[(1-benzylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole

C18H15N3OS — CID 139697862

IUPAC2-[(1-benzylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole
SMILESc1ccc(Cn2cnc(Cc3nc(-c4ccco4)cs3)c2)cc1
InChIInChI=1S/C18H15N3OS/c1-2-5-14(6-3-1)10-21-11-15(19-13-21)9-18-20-16(12-23-18)17-7-4-8-22-17/h1-8,11-13H,9-10H2
InChIKeyCBFMZBNGSMXBBT-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.24
Rot. Bonds5

About 2-[(1-benzylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole

2-[(1-benzylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole (PubChem CID 139697862) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-[(1-benzylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(1-benzylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole
PubChem CID139697862
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name2-[(1-benzylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole
SMILESc1ccc(Cn2cnc(Cc3nc(-c4ccco4)cs3)c2)cc1
InChIInChI=1S/C18H15N3OS/c1-2-5-14(6-3-1)10-21-11-15(19-13-21)9-18-20-16(12-23-18)17-7-4-8-22-17/h1-8,11-13H,9-10H2
InChIKeyCBFMZBNGSMXBBT-UHFFFAOYSA-N
XLogP4.24
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[5-(Furan-2-yl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine
CID 3301880
4-(Furan-2-yl)-2-pyridin-3-yl-1,3-thiazole
CID 2347622
N-(2-furanylmethyl)-4-(2-methyl-3-imidazo[1,2-a]pyridinyl)-2-thiazolamine
CID 697312
N-(furan-2-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 883342
N-(furan-2-ylmethyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 894506
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
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-a]pyrimidin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 166629193
4-(1-benzofuran-2-yl)-2-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 166631330
4-(1-Benzofuran-2-yl)-2-[1-(imidazo[1,2-a]pyrazin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 166634067

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole?
The IUPAC name of 2-[(1-benzylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole (CID 139697862) is 2-[(1-benzylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-[(1-benzylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole?
The canonical SMILES for 2-[(1-benzylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole is c1ccc(Cn2cnc(Cc3nc(-c4ccco4)cs3)c2)cc1.
What is the InChIKey of 2-[(1-benzylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole?
The InChIKey is CBFMZBNGSMXBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-2-5-14(6-3-1)10-21-11-15(19-13-21)9-18-20-16(12-23-18)17-7-4-8-22-17/h1-8,11-13H,9-10H2.
What are the key properties of 2-[(1-benzylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole?
2-[(1-benzylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole has a molecular weight of 321.41 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole is sourced from PubChem (CID 139697862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).