N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide

C16H18N4O2S — CID 43938368

IUPACN-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide
SMILESCOCCn1/c(=N/C(=O)c2nccn2C)sc2cc(C)ccc21
InChIInChI=1S/C16H18N4O2S/c1-11-4-5-12-13(10-11)23-16(20(12)8-9-22-3)18-15(21)14-17-6-7-19(14)2/h4-7,10H,8-9H2,1-3H3/b18-16-
InChIKeyZZBGVWQFPXPGIX-VLGSPTGOSA-N
MW330.41 g/mol
LogP2.13
Rot. Bonds4

About N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide

N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide (PubChem CID 43938368) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide
PubChem CID43938368
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide
SMILESCOCCn1/c(=N/C(=O)c2nccn2C)sc2cc(C)ccc21
InChIInChI=1S/C16H18N4O2S/c1-11-4-5-12-13(10-11)23-16(20(12)8-9-22-3)18-15(21)14-17-6-7-19(14)2/h4-7,10H,8-9H2,1-3H3/b18-16-
InChIKeyZZBGVWQFPXPGIX-VLGSPTGOSA-N
XLogP2.13
TPSA61.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide 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]-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide (CID 43938368) is N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide is COCCn1/c(=N/C(=O)c2nccn2C)sc2cc(C)ccc21.
What is the InChIKey of N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide?
The InChIKey is ZZBGVWQFPXPGIX-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-11-4-5-12-13(10-11)23-16(20(12)8-9-22-3)18-15(21)14-17-6-7-19(14)2/h4-7,10H,8-9H2,1-3H3/b18-16-.
What are the key properties of N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide?
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 43938368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).