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

C11H9N3OS — CID 86185791

IUPAC4-(furan-3-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole
SMILESc1ncc(Cc2nc(-c3ccoc3)cs2)[nH]1
InChIInChI=1S/C11H9N3OS/c1-2-15-5-8(1)10-6-16-11(14-10)3-9-4-12-7-13-9/h1-2,4-7H,3H2,(H,12,13)
InChIKeyKGOUPANJLWSKLZ-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.72
Rot. Bonds3

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

4-(furan-3-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole (PubChem CID 86185791) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 4-(furan-3-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(furan-3-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole
PubChem CID86185791
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name4-(furan-3-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole
SMILESc1ncc(Cc2nc(-c3ccoc3)cs2)[nH]1
InChIInChI=1S/C11H9N3OS/c1-2-15-5-8(1)10-6-16-11(14-10)3-9-4-12-7-13-9/h1-2,4-7H,3H2,(H,12,13)
InChIKeyKGOUPANJLWSKLZ-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

3-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine
CID 172433869
(2-furylmethyl)(1H-imidazol-4-ylmethyl)(3-thienylmethyl)amine
CID 46990875
4-(furan-3-yl)-N-(3-methylpyridin-2-yl)thiazol-2-amine hydrochloride
CID 72720208
[4-(3-Furyl)-1,3-thiazol-2-yl]-3-pyridylamine
CID 72720213
2-(furan-2-ylmethyl)-1-[4-(2-methyl-1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine
CID 13606231
4-(furan-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole
CID 86185787
4-(Furan-3-yl)-2-[(1-propan-2-ylimidazol-4-yl)methyl]-1,3-thiazole
CID 139697858
2-[[2-(furan-3-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole
CID 139697875
2-(1H-imidazol-5-ylmethyl)-4-(5-methylfuran-2-yl)-1,3-thiazole
CID 139697877
N-(furan-3-ylmethyl)propan-2-amine;N-(1H-imidazol-5-ylmethyl)propan-2-amine;N-(1H-pyrrol-2-ylmethyl)propan-2-amine;N-(1H-pyrrol-3-ylmethyl)propan-2-amine;N-(thiophen-2-ylmethyl)propan-2-amine;N-(thiophen-3-ylmethyl)propan-2-amine
CID 158867981
4-(furan-3-yl)-N-(1H-imidazol-5-ylmethyl)thiophen-3-amine
CID 171514328
1-(furan-2-ylmethyl)-1-[4-(2-methyl-1H-imidazol-5-yl)-1,3-thiazol-2-yl]guanidine
CID 174261171

Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-(furan-3-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole (CID 86185791) is 4-(furan-3-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(furan-3-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(furan-3-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole is c1ncc(Cc2nc(-c3ccoc3)cs2)[nH]1.
What is the InChIKey of 4-(furan-3-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole?
The InChIKey is KGOUPANJLWSKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c1-2-15-5-8(1)10-6-16-11(14-10)3-9-4-12-7-13-9/h1-2,4-7H,3H2,(H,12,13).
What are the key properties of 4-(furan-3-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole?
4-(furan-3-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-3-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 86185791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).