N-(2-acetamido-1,3-benzothiazol-5-yl)-3-chlorobenzamide

C16H12ClN3O2S — CID 46328625

IUPACN-(2-acetamido-1,3-benzothiazol-5-yl)-3-chlorobenzamide
SMILESCC(=O)Nc1nc2cc(NC(=O)c3cccc(Cl)c3)ccc2s1
InChIInChI=1S/C16H12ClN3O2S/c1-9(21)18-16-20-13-8-12(5-6-14(13)23-16)19-15(22)10-3-2-4-11(17)7-10/h2-8H,1H3,(H,19,22)(H,18,20,21)
InChIKeyCVVBFTARRMXOGO-UHFFFAOYSA-N
MW345.81 g/mol
LogP4.16
Rot. Bonds3

About N-(2-acetamido-1,3-benzothiazol-5-yl)-3-chlorobenzamide

N-(2-acetamido-1,3-benzothiazol-5-yl)-3-chlorobenzamide (PubChem CID 46328625) has the molecular formula C16H12ClN3O2S and a molecular weight of 345.81 g/mol. Its IUPAC name is N-(2-acetamido-1,3-benzothiazol-5-yl)-3-chlorobenzamide.

Molecular Properties

Compound NameN-(2-acetamido-1,3-benzothiazol-5-yl)-3-chlorobenzamide
PubChem CID46328625
Molecular FormulaC16H12ClN3O2S
Molecular Weight345.81 g/mol
Exact Mass345.03
IUPAC NameN-(2-acetamido-1,3-benzothiazol-5-yl)-3-chlorobenzamide
SMILESCC(=O)Nc1nc2cc(NC(=O)c3cccc(Cl)c3)ccc2s1
InChIInChI=1S/C16H12ClN3O2S/c1-9(21)18-16-20-13-8-12(5-6-14(13)23-16)19-15(22)10-3-2-4-11(17)7-10/h2-8H,1H3,(H,19,22)(H,18,20,21)
InChIKeyCVVBFTARRMXOGO-UHFFFAOYSA-N
XLogP4.16
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]-3-chlorobenzamide
CID 50881984
3-chloro-N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-5-yl]benzamide
CID 46328690
N-[5-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 20971908
3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 7915285
N-(2-acetamido-1,3-benzothiazol-5-yl)-2-methylbenzamide
CID 46328641
N-[2-[(3-chlorobenzoyl)amino]-1,3-benzothiazol-6-yl]-1,3-thiazole-4-carboxamide
CID 90144262
N-(2-acetamido-1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
CID 5075468
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-5-yl]benzamide
CID 50882100
N-(2-acetamido-1,3-benzothiazol-6-yl)-5-chloro-2-fluorobenzamide
CID 55769791
3-chloro-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide
CID 7202716
N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3606712

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-1,3-benzothiazol-5-yl)-3-chlorobenzamide?
The IUPAC name of N-(2-acetamido-1,3-benzothiazol-5-yl)-3-chlorobenzamide (CID 46328625) is N-(2-acetamido-1,3-benzothiazol-5-yl)-3-chlorobenzamide.
What is the SMILES notation for N-(2-acetamido-1,3-benzothiazol-5-yl)-3-chlorobenzamide?
The canonical SMILES for N-(2-acetamido-1,3-benzothiazol-5-yl)-3-chlorobenzamide is CC(=O)Nc1nc2cc(NC(=O)c3cccc(Cl)c3)ccc2s1.
What is the InChIKey of N-(2-acetamido-1,3-benzothiazol-5-yl)-3-chlorobenzamide?
The InChIKey is CVVBFTARRMXOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2S/c1-9(21)18-16-20-13-8-12(5-6-14(13)23-16)19-15(22)10-3-2-4-11(17)7-10/h2-8H,1H3,(H,19,22)(H,18,20,21).
What are the key properties of N-(2-acetamido-1,3-benzothiazol-5-yl)-3-chlorobenzamide?
N-(2-acetamido-1,3-benzothiazol-5-yl)-3-chlorobenzamide has a molecular weight of 345.81 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-1,3-benzothiazol-5-yl)-3-chlorobenzamide is sourced from PubChem (CID 46328625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).