4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-1,2-thiazole

C12H11N3OS — CID 155911948

IUPAC4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-1,2-thiazole
SMILESc1coc(CCn2ccnc2-c2cnsc2)c1
InChIInChI=1S/C12H11N3OS/c1-2-11(16-7-1)3-5-15-6-4-13-12(15)10-8-14-17-9-10/h1-2,4,6-9H,3,5H2
InChIKeyGAOMPDQTHJMCIT-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.84
Rot. Bonds4

About 4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-1,2-thiazole

4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-1,2-thiazole (PubChem CID 155911948) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-1,2-thiazole.

Molecular Properties

Compound Name4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-1,2-thiazole
PubChem CID155911948
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-1,2-thiazole
SMILESc1coc(CCn2ccnc2-c2cnsc2)c1
InChIInChI=1S/C12H11N3OS/c1-2-11(16-7-1)3-5-15-6-4-13-12(15)10-8-14-17-9-10/h1-2,4,6-9H,3,5H2
InChIKeyGAOMPDQTHJMCIT-UHFFFAOYSA-N
XLogP2.84
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-1,2-thiazole?
The IUPAC name of 4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-1,2-thiazole (CID 155911948) is 4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-1,2-thiazole.
What is the SMILES notation for 4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-1,2-thiazole?
The canonical SMILES for 4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-1,2-thiazole is c1coc(CCn2ccnc2-c2cnsc2)c1.
What is the InChIKey of 4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-1,2-thiazole?
The InChIKey is GAOMPDQTHJMCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-2-11(16-7-1)3-5-15-6-4-13-12(15)10-8-14-17-9-10/h1-2,4,6-9H,3,5H2.
What are the key properties of 4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-1,2-thiazole?
4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-1,2-thiazole has a molecular weight of 245.31 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-1,2-thiazole is sourced from PubChem (CID 155911948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).