2-(furan-2-yl)-4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole

C13H14N4O2S2 — CID 47019397

IUPAC2-(furan-2-yl)-4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
SMILESCOCCn1cnnc1SCc1csc(-c2ccco2)n1
InChIInChI=1S/C13H14N4O2S2/c1-18-6-4-17-9-14-16-13(17)21-8-10-7-20-12(15-10)11-3-2-5-19-11/h2-3,5,7,9H,4,6,8H2,1H3
InChIKeyAMIUZKWRJOMPHA-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.93
Rot. Bonds7

About 2-(furan-2-yl)-4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole

2-(furan-2-yl)-4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole (PubChem CID 47019397) has the molecular formula C13H14N4O2S2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
PubChem CID47019397
Molecular FormulaC13H14N4O2S2
Molecular Weight322.42 g/mol
Exact Mass322.06
IUPAC Name2-(furan-2-yl)-4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
SMILESCOCCn1cnnc1SCc1csc(-c2ccco2)n1
InChIInChI=1S/C13H14N4O2S2/c1-18-6-4-17-9-14-16-13(17)21-8-10-7-20-12(15-10)11-3-2-5-19-11/h2-3,5,7,9H,4,6,8H2,1H3
InChIKeyAMIUZKWRJOMPHA-UHFFFAOYSA-N
XLogP2.93
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 2-(furan-2-yl)-4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole (CID 47019397) is 2-(furan-2-yl)-4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-(furan-2-yl)-4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 2-(furan-2-yl)-4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole is COCCn1cnnc1SCc1csc(-c2ccco2)n1.
What is the InChIKey of 2-(furan-2-yl)-4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole?
The InChIKey is AMIUZKWRJOMPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S2/c1-18-6-4-17-9-14-16-13(17)21-8-10-7-20-12(15-10)11-3-2-5-19-11/h2-3,5,7,9H,4,6,8H2,1H3.
What are the key properties of 2-(furan-2-yl)-4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole?
2-(furan-2-yl)-4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole has a molecular weight of 322.42 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 47019397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).