2-(imidazol-1-ylmethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)benzamide

C21H20N4OS — CID 46968730

IUPAC2-(imidazol-1-ylmethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
SMILESCC(C)c1nc2ccc(NC(=O)c3ccccc3Cn3ccnc3)cc2s1
InChIInChI=1S/C21H20N4OS/c1-14(2)21-24-18-8-7-16(11-19(18)27-21)23-20(26)17-6-4-3-5-15(17)12-25-10-9-22-13-25/h3-11,13-14H,12H2,1-2H3,(H,23,26)
InChIKeyWKTSTHWYXWVZED-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.92
Rot. Bonds5

About 2-(imidazol-1-ylmethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)benzamide

2-(imidazol-1-ylmethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 46968730) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is 2-(imidazol-1-ylmethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name2-(imidazol-1-ylmethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
PubChem CID46968730
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC Name2-(imidazol-1-ylmethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
SMILESCC(C)c1nc2ccc(NC(=O)c3ccccc3Cn3ccnc3)cc2s1
InChIInChI=1S/C21H20N4OS/c1-14(2)21-24-18-8-7-16(11-19(18)27-21)23-20(26)17-6-4-3-5-15(17)12-25-10-9-22-13-25/h3-11,13-14H,12H2,1-2H3,(H,23,26)
InChIKeyWKTSTHWYXWVZED-UHFFFAOYSA-N
XLogP4.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(imidazol-1-ylmethyl)-N-[1-(2-methoxyethyl)-2-methylindol-5-yl]benzamide
CID 46971062
methyl 3-[2-(imidazol-1-ylmethyl)phenyl]-2-methyl-3-oxopropanoate
CID 134280288
[2-(imidazol-1-ylmethyl)phenyl]-phenylmethanone
CID 16747937
N-[2-(1,3-benzothiazol-2-yl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 86860575
N-[(2R)-4-(4-fluorophenyl)butan-2-yl]-2-(imidazol-1-ylmethyl)benzamide
CID 51591760
1-amino-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119753611
4-(imidazol-1-ylmethyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100560722
4-(imidazol-1-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 60541926
N-(2-ethyl-1,3-benzothiazol-6-yl)-2-(trifluoromethyl)benzamide
CID 30152626
2-(cyclopropylmethoxy)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 95169004
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 99802369
N-[1-(1-ethylindol-3-yl)propan-2-yl]-2-(imidazol-1-ylmethyl)benzamide
CID 46957121

Frequently Asked Questions

What is the IUPAC name of 2-(imidazol-1-ylmethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 2-(imidazol-1-ylmethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)benzamide (CID 46968730) is 2-(imidazol-1-ylmethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 2-(imidazol-1-ylmethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 2-(imidazol-1-ylmethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)benzamide is CC(C)c1nc2ccc(NC(=O)c3ccccc3Cn3ccnc3)cc2s1.
What is the InChIKey of 2-(imidazol-1-ylmethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is WKTSTHWYXWVZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-14(2)21-24-18-8-7-16(11-19(18)27-21)23-20(26)17-6-4-3-5-15(17)12-25-10-9-22-13-25/h3-11,13-14H,12H2,1-2H3,(H,23,26).
What are the key properties of 2-(imidazol-1-ylmethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)benzamide?
2-(imidazol-1-ylmethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 376.49 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazol-1-ylmethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 46968730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).