2-(2-ethylimidazol-1-yl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)acetamide

C15H20N4OS — CID 91833479

IUPAC2-(2-ethylimidazol-1-yl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)acetamide
SMILESCCc1nccn1CC(=O)NC1CCCc2sc(C)nc21
InChIInChI=1S/C15H20N4OS/c1-3-13-16-7-8-19(13)9-14(20)18-11-5-4-6-12-15(11)17-10(2)21-12/h7-8,11H,3-6,9H2,1-2H3,(H,18,20)
InChIKeyDRGJLWZROROHLZ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.40
Rot. Bonds4

About 2-(2-ethylimidazol-1-yl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)acetamide

2-(2-ethylimidazol-1-yl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)acetamide (PubChem CID 91833479) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)acetamide
PubChem CID91833479
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-(2-ethylimidazol-1-yl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)acetamide
SMILESCCc1nccn1CC(=O)NC1CCCc2sc(C)nc21
InChIInChI=1S/C15H20N4OS/c1-3-13-16-7-8-19(13)9-14(20)18-11-5-4-6-12-15(11)17-10(2)21-12/h7-8,11H,3-6,9H2,1-2H3,(H,18,20)
InChIKeyDRGJLWZROROHLZ-UHFFFAOYSA-N
XLogP2.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)acetamide?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)acetamide (CID 91833479) is 2-(2-ethylimidazol-1-yl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)acetamide?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)acetamide is CCc1nccn1CC(=O)NC1CCCc2sc(C)nc21.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)acetamide?
The InChIKey is DRGJLWZROROHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-3-13-16-7-8-19(13)9-14(20)18-11-5-4-6-12-15(11)17-10(2)21-12/h7-8,11H,3-6,9H2,1-2H3,(H,18,20).
What are the key properties of 2-(2-ethylimidazol-1-yl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)acetamide?
2-(2-ethylimidazol-1-yl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)acetamide has a molecular weight of 304.42 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)acetamide is sourced from PubChem (CID 91833479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).