4-(furan-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole

C11H9N3OS — CID 86185787

IUPAC4-(furan-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole
SMILESc1coc(-c2csc(Cc3cnc[nH]3)n2)c1
InChIInChI=1S/C11H9N3OS/c1-2-10(15-3-1)9-6-16-11(14-9)4-8-5-12-7-13-8/h1-3,5-7H,4H2,(H,12,13)
InChIKeyXXENOVJKJTWDEW-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.72
Rot. Bonds3

About 4-(furan-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole

4-(furan-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole (PubChem CID 86185787) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(furan-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole
PubChem CID86185787
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name4-(furan-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole
SMILESc1coc(-c2csc(Cc3cnc[nH]3)n2)c1
InChIInChI=1S/C11H9N3OS/c1-2-10(15-3-1)9-6-16-11(14-9)4-8-5-12-7-13-8/h1-3,5-7H,4H2,(H,12,13)
InChIKeyXXENOVJKJTWDEW-UHFFFAOYSA-N
XLogP2.72
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-5-N-(pyridin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145436766
(2',4'-Dimethyl-[4,5']bithiazolyl-2-yl)-furan-2-ylmethyl-amine
CID 646758
N-(2-furanylmethyl)-4-(2-methyl-3-imidazo[1,2-a]pyridinyl)-2-thiazolamine
CID 697312
2-((1-(furan-2-ylmethyl)-1H-imidazol-2-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
CID 7151137
N-(2-furylmethyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
CID 2901742
4-(Furan-2-yl)-2-pyrimidin-2-yl-1,3-thiazole
CID 145968036
2-(2-Furanyl)histamine
CID 10261635
N-[[5-[2-[[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 10714393
4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole
CID 53575443
2-(furan-2-yl)-4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazole
CID 53579400
2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-(furan-2-yl)-1,3-thiazole
CID 166633195
N-(furan-2-ylmethyl)-6-thiophen-2-ylpyrazin-2-amine
CID 172434154

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-(furan-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole (CID 86185787) is 4-(furan-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(furan-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(furan-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole is c1coc(-c2csc(Cc3cnc[nH]3)n2)c1.
What is the InChIKey of 4-(furan-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole?
The InChIKey is XXENOVJKJTWDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c1-2-10(15-3-1)9-6-16-11(14-9)4-8-5-12-7-13-8/h1-3,5-7H,4H2,(H,12,13).
What are the key properties of 4-(furan-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole?
4-(furan-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole has a molecular weight of 231.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 86185787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).