4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazole

C12H12N2OS3 — CID 71942022

IUPAC4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazole
SMILESCc1ccc(-c2nc(CSC3=NCCS3)cs2)o1
InChIInChI=1S/C12H12N2OS3/c1-8-2-3-10(15-8)11-14-9(6-17-11)7-18-12-13-4-5-16-12/h2-3,6H,4-5,7H2,1H3
InChIKeyVWBNOLQTMIJBCO-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.05
Rot. Bonds3

About 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazole

4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazole (PubChem CID 71942022) has the molecular formula C12H12N2OS3 and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazole
PubChem CID71942022
Molecular FormulaC12H12N2OS3
Molecular Weight296.44 g/mol
Exact Mass296.01
IUPAC Name4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazole
SMILESCc1ccc(-c2nc(CSC3=NCCS3)cs2)o1
InChIInChI=1S/C12H12N2OS3/c1-8-2-3-10(15-8)11-14-9(6-17-11)7-18-12-13-4-5-16-12/h2-3,6H,4-5,7H2,1H3
InChIKeyVWBNOLQTMIJBCO-UHFFFAOYSA-N
XLogP4.05
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazole?
The IUPAC name of 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazole (CID 71942022) is 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazole is Cc1ccc(-c2nc(CSC3=NCCS3)cs2)o1.
What is the InChIKey of 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazole?
The InChIKey is VWBNOLQTMIJBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS3/c1-8-2-3-10(15-8)11-14-9(6-17-11)7-18-12-13-4-5-16-12/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazole?
4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazole has a molecular weight of 296.44 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazole is sourced from PubChem (CID 71942022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).