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

C18H17Cl2N3OS — CID 139697861

IUPAC2-[(1-benzylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole;dihydrochloride
SMILESCl.Cl.c1ccc(Cn2cnc(Cc3nc(-c4ccco4)cs3)c2)cc1
InChIInChI=1S/C18H15N3OS.2ClH/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;2*1H
InChIKeyUZOVQUFIQABHLQ-UHFFFAOYSA-N
MW394.33 g/mol
LogP5.08
Rot. Bonds5

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

2-[(1-benzylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole;dihydrochloride (PubChem CID 139697861) has the molecular formula C18H17Cl2N3OS and a molecular weight of 394.33 g/mol. Its IUPAC name is 2-[(1-benzylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name2-[(1-benzylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole;dihydrochloride
PubChem CID139697861
Molecular FormulaC18H17Cl2N3OS
Molecular Weight394.33 g/mol
Exact Mass393.05
IUPAC Name2-[(1-benzylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole;dihydrochloride
SMILESCl.Cl.c1ccc(Cn2cnc(Cc3nc(-c4ccco4)cs3)c2)cc1
InChIInChI=1S/C18H15N3OS.2ClH/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;2*1H
InChIKeyUZOVQUFIQABHLQ-UHFFFAOYSA-N
XLogP5.08
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.33
LogP ≤ 55.08
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
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
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
6-(2-Furyl)-3-(3-thienyl)imidazo [1,2-a]pyrazine
CID 117769709
2-(1-Furan-2-ylmethyl-5-phenyl-1H-imidazol-2-ylsulfanyl)-N-(5-methyl-thiazol-2-yl)-acetamide
CID 650898
2-[5-(4-Fluoro-phenyl)-1-furan-2-ylmethyl-1H-imidazol-2-ylsulfanyl]-N-thiazol-2-yl-acetamide
CID 656147
4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 697316
N-(furan-2-ylmethyl)-3-methyl-6-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 5310014

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole;dihydrochloride?
The IUPAC name of 2-[(1-benzylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole;dihydrochloride (CID 139697861) is 2-[(1-benzylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 2-[(1-benzylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole;dihydrochloride?
The canonical SMILES for 2-[(1-benzylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole;dihydrochloride is Cl.Cl.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;dihydrochloride?
The InChIKey is UZOVQUFIQABHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS.2ClH/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;2*1H.
What are the key properties of 2-[(1-benzylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole;dihydrochloride?
2-[(1-benzylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole;dihydrochloride has a molecular weight of 394.33 g/mol, XLogP of 5.08, 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;dihydrochloride is sourced from PubChem (CID 139697861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).