[2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylimidazol-4-yl]methanol

C13H13N3O2S2 — CID 71861592

IUPAC[2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylimidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCc1csc(-c2ccoc2)n1
InChIInChI=1S/C13H13N3O2S2/c1-16-11(5-17)4-14-13(16)20-8-10-7-19-12(15-10)9-2-3-18-6-9/h2-4,6-7,17H,5,8H2,1H3
InChIKeyGIKVPVWDHHCYCP-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.92
Rot. Bonds5

About [2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylimidazol-4-yl]methanol

[2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylimidazol-4-yl]methanol (PubChem CID 71861592) has the molecular formula C13H13N3O2S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is [2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylimidazol-4-yl]methanol
PubChem CID71861592
Molecular FormulaC13H13N3O2S2
Molecular Weight307.40 g/mol
Exact Mass307.04
IUPAC Name[2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylimidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCc1csc(-c2ccoc2)n1
InChIInChI=1S/C13H13N3O2S2/c1-16-11(5-17)4-14-13(16)20-8-10-7-19-12(15-10)9-2-3-18-6-9/h2-4,6-7,17H,5,8H2,1H3
InChIKeyGIKVPVWDHHCYCP-UHFFFAOYSA-N
XLogP2.92
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylimidazol-4-yl]methanol?
The IUPAC name of [2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylimidazol-4-yl]methanol (CID 71861592) is [2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylimidazol-4-yl]methanol.
What is the SMILES notation for [2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylimidazol-4-yl]methanol?
The canonical SMILES for [2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylimidazol-4-yl]methanol is Cn1c(CO)cnc1SCc1csc(-c2ccoc2)n1.
What is the InChIKey of [2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylimidazol-4-yl]methanol?
The InChIKey is GIKVPVWDHHCYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S2/c1-16-11(5-17)4-14-13(16)20-8-10-7-19-12(15-10)9-2-3-18-6-9/h2-4,6-7,17H,5,8H2,1H3.
What are the key properties of [2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylimidazol-4-yl]methanol?
[2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylimidazol-4-yl]methanol has a molecular weight of 307.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylimidazol-4-yl]methanol is sourced from PubChem (CID 71861592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).