N-[2-chloro-4-(6-hydroxy-1,3-benzothiazol-2-yl)phenyl]acetamide

C15H11ClN2O2S — CID 10567607

IUPACN-[2-chloro-4-(6-hydroxy-1,3-benzothiazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3ccc(O)cc3s2)cc1Cl
InChIInChI=1S/C15H11ClN2O2S/c1-8(19)17-12-4-2-9(6-11(12)16)15-18-13-5-3-10(20)7-14(13)21-15/h2-7,20H,1H3,(H,17,19)
InChIKeyNZCWYKALTMQUDT-UHFFFAOYSA-N
MW318.79 g/mol
LogP4.28
Rot. Bonds2

About N-[2-chloro-4-(6-hydroxy-1,3-benzothiazol-2-yl)phenyl]acetamide

N-[2-chloro-4-(6-hydroxy-1,3-benzothiazol-2-yl)phenyl]acetamide (PubChem CID 10567607) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.79 g/mol. Its IUPAC name is N-[2-chloro-4-(6-hydroxy-1,3-benzothiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(6-hydroxy-1,3-benzothiazol-2-yl)phenyl]acetamide
PubChem CID10567607
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.79 g/mol
Exact Mass318.02
IUPAC NameN-[2-chloro-4-(6-hydroxy-1,3-benzothiazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3ccc(O)cc3s2)cc1Cl
InChIInChI=1S/C15H11ClN2O2S/c1-8(19)17-12-4-2-9(6-11(12)16)15-18-13-5-3-10(20)7-14(13)21-15/h2-7,20H,1H3,(H,17,19)
InChIKeyNZCWYKALTMQUDT-UHFFFAOYSA-N
XLogP4.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-hydroxyphenyl)acetamide
CID 14590937
N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3,5-dimethoxybenzamide
CID 46364004
methyl 3-(6-hydroxy-1,3-benzothiazol-2-yl)benzoate
CID 58138527
2-[3-[fluoro(methyl)boranyl]-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol
CID 143210507
2-(3-chloro-4-methylphenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470328
N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-5-bromofuran-2-carboxamide
CID 46364001
acetic acid;2-chloro-1,3-benzothiazol-6-ol
CID 70388805
2-(4-fluorophenyl)-1,3-benzothiazol-6-ol
CID 16734166
N-[(2S)-1-[4-(6-hydroxy-1,3-benzothiazol-2-yl)phenoxy]propan-2-yl]acetamide
CID 67777623
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dichlorophenyl)urea
CID 2738352
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide
CID 46785977
2-(4-amino-3-nitrophenyl)-1,3-benzothiazol-6-ol
CID 102106626

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(6-hydroxy-1,3-benzothiazol-2-yl)phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-(6-hydroxy-1,3-benzothiazol-2-yl)phenyl]acetamide (CID 10567607) is N-[2-chloro-4-(6-hydroxy-1,3-benzothiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-(6-hydroxy-1,3-benzothiazol-2-yl)phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-(6-hydroxy-1,3-benzothiazol-2-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2nc3ccc(O)cc3s2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(6-hydroxy-1,3-benzothiazol-2-yl)phenyl]acetamide?
The InChIKey is NZCWYKALTMQUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c1-8(19)17-12-4-2-9(6-11(12)16)15-18-13-5-3-10(20)7-14(13)21-15/h2-7,20H,1H3,(H,17,19).
What are the key properties of N-[2-chloro-4-(6-hydroxy-1,3-benzothiazol-2-yl)phenyl]acetamide?
N-[2-chloro-4-(6-hydroxy-1,3-benzothiazol-2-yl)phenyl]acetamide has a molecular weight of 318.79 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(6-hydroxy-1,3-benzothiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 10567607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).