5-amino-2-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorobenzamide

C14H10ClN3OS2 — CID 107198338

IUPAC5-amino-2-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorobenzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1Sc1nc2ccccc2s1
InChIInChI=1S/C14H10ClN3OS2/c15-9-6-7(16)5-8(13(17)19)12(9)21-14-18-10-3-1-2-4-11(10)20-14/h1-6H,16H2,(H2,17,19)
InChIKeyFRWNBDIXFLKLLW-UHFFFAOYSA-N
MW335.84 g/mol
LogP3.78
Rot. Bonds3

About 5-amino-2-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorobenzamide

5-amino-2-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorobenzamide (PubChem CID 107198338) has the molecular formula C14H10ClN3OS2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 5-amino-2-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorobenzamide.

Molecular Properties

Compound Name5-amino-2-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorobenzamide
PubChem CID107198338
Molecular FormulaC14H10ClN3OS2
Molecular Weight335.84 g/mol
Exact Mass335.00
IUPAC Name5-amino-2-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorobenzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1Sc1nc2ccccc2s1
InChIInChI=1S/C14H10ClN3OS2/c15-9-6-7(16)5-8(13(17)19)12(9)21-14-18-10-3-1-2-4-11(10)20-14/h1-6H,16H2,(H2,17,19)
InChIKeyFRWNBDIXFLKLLW-UHFFFAOYSA-N
XLogP3.78
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-benzothiazol-2-ylsulfanyl)-3,5-dichloroaniline
CID 106891279
5-amino-3-chloro-2-(2-methoxyphenyl)sulfanylbenzamide
CID 107198624
3-(1,3-benzothiazol-2-ylsulfanyl)-5-fluoroaniline
CID 60875381
2-amino-3-(1,3-benzothiazol-2-ylsulfanyl)benzoic acid
CID 115547402
azanium 4-(1,3-benzothiazol-2-ylsulfanyl)-3,5-dinitrobenzoate
CID 132802391
4-(1,3-benzothiazol-2-ylsulfanyl)-2-bromobenzoic acid
CID 107282625
2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-1,3-benzothiazole
CID 83156623
methyl N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chloroanilino]carbamate
CID 155908019
1-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-3-(4-fluorophenyl)urea
CID 163364546
4-(1,3-benzothiazol-2-ylsulfanyl)-3,5-difluorobenzaldehyde
CID 63802848
6-(1,3-benzothiazol-2-ylsulfanyl)-5-chloropyrimidin-4-amine
CID 114049977
6-(1,3-benzothiazol-2-ylsulfanyl)pyridazine-3-carboxylic acid
CID 54919493

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorobenzamide?
The IUPAC name of 5-amino-2-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorobenzamide (CID 107198338) is 5-amino-2-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorobenzamide.
What is the SMILES notation for 5-amino-2-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorobenzamide?
The canonical SMILES for 5-amino-2-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorobenzamide is NC(=O)c1cc(N)cc(Cl)c1Sc1nc2ccccc2s1.
What is the InChIKey of 5-amino-2-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorobenzamide?
The InChIKey is FRWNBDIXFLKLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3OS2/c15-9-6-7(16)5-8(13(17)19)12(9)21-14-18-10-3-1-2-4-11(10)20-14/h1-6H,16H2,(H2,17,19).
What are the key properties of 5-amino-2-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorobenzamide?
5-amino-2-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorobenzamide has a molecular weight of 335.84 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorobenzamide is sourced from PubChem (CID 107198338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).