N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-(imidazol-1-ylmethyl)benzamide

C20H18N4O2S — CID 100548253

IUPACN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-(imidazol-1-ylmethyl)benzamide
SMILESCCn1c(=O)sc2cc(NC(=O)c3ccc(Cn4ccnc4)cc3)ccc21
InChIInChI=1S/C20H18N4O2S/c1-2-24-17-8-7-16(11-18(17)27-20(24)26)22-19(25)15-5-3-14(4-6-15)12-23-10-9-21-13-23/h3-11,13H,2,12H2,1H3,(H,22,25)
InChIKeyQOKPJWHICWZFIF-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.58
Rot. Bonds5

About N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-(imidazol-1-ylmethyl)benzamide

N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-(imidazol-1-ylmethyl)benzamide (PubChem CID 100548253) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-(imidazol-1-ylmethyl)benzamide
PubChem CID100548253
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-(imidazol-1-ylmethyl)benzamide
SMILESCCn1c(=O)sc2cc(NC(=O)c3ccc(Cn4ccnc4)cc3)ccc21
InChIInChI=1S/C20H18N4O2S/c1-2-24-17-8-7-16(11-18(17)27-20(24)26)22-19(25)15-5-3-14(4-6-15)12-23-10-9-21-13-23/h3-11,13H,2,12H2,1H3,(H,22,25)
InChIKeyQOKPJWHICWZFIF-UHFFFAOYSA-N
XLogP3.58
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(imidazol-1-ylmethyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100560722
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 100548495
N-(3-acetylphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43924465
N-[3-(butanoylamino)phenyl]-4-(imidazol-1-ylmethyl)benzamide
CID 87041023
N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922042
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 100540586
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenyl)acetamide
CID 46352529
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 22577353
4-[benzenesulfonyl(methyl)amino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 100539664
4-[(2-methylimidazol-1-yl)methyl]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100560997
4-chloro-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 100541317
4-(imidazol-1-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 60541926

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-(imidazol-1-ylmethyl)benzamide (CID 100548253) is N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-(imidazol-1-ylmethyl)benzamide is CCn1c(=O)sc2cc(NC(=O)c3ccc(Cn4ccnc4)cc3)ccc21.
What is the InChIKey of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-(imidazol-1-ylmethyl)benzamide?
The InChIKey is QOKPJWHICWZFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-2-24-17-8-7-16(11-18(17)27-20(24)26)22-19(25)15-5-3-14(4-6-15)12-23-10-9-21-13-23/h3-11,13H,2,12H2,1H3,(H,22,25).
What are the key properties of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-(imidazol-1-ylmethyl)benzamide?
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-(imidazol-1-ylmethyl)benzamide has a molecular weight of 378.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 100548253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).