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

C15H16N4O2S — CID 43938449

IUPACN-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide
SMILESCOCCn1/c(=N/C(=O)c2nccn2C)sc2ccccc21
InChIInChI=1S/C15H16N4O2S/c1-18-8-7-16-13(18)14(20)17-15-19(9-10-21-2)11-5-3-4-6-12(11)22-15/h3-8H,9-10H2,1-2H3/b17-15-
InChIKeyIMPSPLOCFULBRQ-ICFOKQHNSA-N
MW316.39 g/mol
LogP1.82
Rot. Bonds4

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

N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide (PubChem CID 43938449) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide
PubChem CID43938449
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide
SMILESCOCCn1/c(=N/C(=O)c2nccn2C)sc2ccccc21
InChIInChI=1S/C15H16N4O2S/c1-18-8-7-16-13(18)14(20)17-15-19(9-10-21-2)11-5-3-4-6-12(11)22-15/h3-8H,9-10H2,1-2H3/b17-15-
InChIKeyIMPSPLOCFULBRQ-ICFOKQHNSA-N
XLogP1.82
TPSA61.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(2-ethoxyethyl)-2-(1-methylimidazole-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate
CID 43938152
4-methoxy-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 3681659
N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-nitrobenzamide
CID 5159986
N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]pentanamide
CID 3606864
ethyl 2-[6-ethyl-2-(1-methylimidazole-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
CID 43941356
methyl 2-[2-(1-methylimidazole-2-carbonyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate
CID 43941086
N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(4-methylsulfanylphenyl)acetamide
CID 42525068
1-(2-adamantyl)-3-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]urea
CID 66860959
4-(benzenesulfonamido)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 121043724
7-methoxy-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide
CID 40888945
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 4099388
2-(3,4-dimethoxyphenyl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
CID 16912805

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide (CID 43938449) is N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide is COCCn1/c(=N/C(=O)c2nccn2C)sc2ccccc21.
What is the InChIKey of N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide?
The InChIKey is IMPSPLOCFULBRQ-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-18-8-7-16-13(18)14(20)17-15-19(9-10-21-2)11-5-3-4-6-12(11)22-15/h3-8H,9-10H2,1-2H3/b17-15-.
What are the key properties of N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide?
N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 1.82, 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)-1,3-benzothiazol-2-ylidene]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 43938449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).