2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

C18H16N4O2S2 — CID 7151135

IUPAC2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc2nc(NC(=O)CSc3nccn3Cc3ccco3)sc2c1
InChIInChI=1S/C18H16N4O2S2/c1-12-4-5-14-15(9-12)26-17(20-14)21-16(23)11-25-18-19-6-7-22(18)10-13-3-2-8-24-13/h2-9H,10-11H2,1H3,(H,20,21,23)
InChIKeyONQCUCBOBTYFGQ-UHFFFAOYSA-N
MW384.49 g/mol
LogP4.17
Rot. Bonds6

About 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 7151135) has the molecular formula C18H16N4O2S2 and a molecular weight of 384.49 g/mol. Its IUPAC name is 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID7151135
Molecular FormulaC18H16N4O2S2
Molecular Weight384.49 g/mol
Exact Mass384.07
IUPAC Name2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc2nc(NC(=O)CSc3nccn3Cc3ccco3)sc2c1
InChIInChI=1S/C18H16N4O2S2/c1-12-4-5-14-15(9-12)26-17(20-14)21-16(23)11-25-18-19-6-7-22(18)10-13-3-2-8-24-13/h2-9H,10-11H2,1H3,(H,20,21,23)
InChIKeyONQCUCBOBTYFGQ-UHFFFAOYSA-N
XLogP4.17
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (CID 7151135) is 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is Cc1ccc2nc(NC(=O)CSc3nccn3Cc3ccco3)sc2c1.
What is the InChIKey of 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is ONQCUCBOBTYFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S2/c1-12-4-5-14-15(9-12)26-17(20-14)21-16(23)11-25-18-19-6-7-22(18)10-13-3-2-8-24-13/h2-9H,10-11H2,1H3,(H,20,21,23).
What are the key properties of 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 384.49 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 7151135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).