N-benzoyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

C21H18N2O2S — CID 6737488

IUPACN-benzoyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(c1ccccc1)N(C(=O)c1ccccc1)c1nc2c(s1)CCCC2
InChIInChI=1S/C21H18N2O2S/c24-19(15-9-3-1-4-10-15)23(20(25)16-11-5-2-6-12-16)21-22-17-13-7-8-14-18(17)26-21/h1-6,9-12H,7-8,13-14H2
InChIKeyDEVSOLBMUHVQNZ-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.51
Rot. Bonds3

About N-benzoyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

N-benzoyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 6737488) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-benzoyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-benzoyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
PubChem CID6737488
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC NameN-benzoyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(c1ccccc1)N(C(=O)c1ccccc1)c1nc2c(s1)CCCC2
InChIInChI=1S/C21H18N2O2S/c24-19(15-9-3-1-4-10-15)23(20(25)16-11-5-2-6-12-16)21-22-17-13-7-8-14-18(17)26-21/h1-6,9-12H,7-8,13-14H2
InChIKeyDEVSOLBMUHVQNZ-UHFFFAOYSA-N
XLogP4.51
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 71295778
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
4-cyano-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 8501451
2-[2-(methoxymethyl)phenyl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 73424678
N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 70698689
2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 70680628
N-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 71295783
2-benzoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide
CID 51132681
trans-[2-[benzyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 9230381
N-benzyl-5,7-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 31484552
2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2931402
1-[2-[benzyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8557237

Frequently Asked Questions

What is the IUPAC name of N-benzoyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-benzoyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide (CID 6737488) is N-benzoyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-benzoyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-benzoyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nc2c(s1)CCCC2.
What is the InChIKey of N-benzoyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is DEVSOLBMUHVQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c24-19(15-9-3-1-4-10-15)23(20(25)16-11-5-2-6-12-16)21-22-17-13-7-8-14-18(17)26-21/h1-6,9-12H,7-8,13-14H2.
What are the key properties of N-benzoyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
N-benzoyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 362.45 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 6737488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).