N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide

C15H17N5O2S — CID 43938366

IUPACN-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCOCCn1/c(=N/C(=O)Cn2cncn2)sc2cc(C)ccc21
InChIInChI=1S/C15H17N5O2S/c1-11-3-4-12-13(7-11)23-15(20(12)5-6-22-2)18-14(21)8-19-10-16-9-17-19/h3-4,7,9-10H,5-6,8H2,1-2H3/b18-15-
InChIKeyUDGJUIUVMKSMJT-SDXDJHTJSA-N
MW331.40 g/mol
LogP1.38
Rot. Bonds5

About N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide

N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 43938366) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID43938366
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC NameN-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCOCCn1/c(=N/C(=O)Cn2cncn2)sc2cc(C)ccc21
InChIInChI=1S/C15H17N5O2S/c1-11-3-4-12-13(7-11)23-15(20(12)5-6-22-2)18-14(21)8-19-10-16-9-17-19/h3-4,7,9-10H,5-6,8H2,1-2H3/b18-15-
InChIKeyUDGJUIUVMKSMJT-SDXDJHTJSA-N
XLogP1.38
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide (CID 43938366) is N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide is COCCn1/c(=N/C(=O)Cn2cncn2)sc2cc(C)ccc21.
What is the InChIKey of N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is UDGJUIUVMKSMJT-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-11-3-4-12-13(7-11)23-15(20(12)5-6-22-2)18-14(21)8-19-10-16-9-17-19/h3-4,7,9-10H,5-6,8H2,1-2H3/b18-15-.
What are the key properties of N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide?
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 331.40 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 43938366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).