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

C15H12ClN3O2S — CID 142733972

IUPACN-[2-(3-chloro-4-hydroxyanilino)-1,3-benzothiazol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(Nc3ccc(O)c(Cl)c3)sc2c1
InChIInChI=1S/C15H12ClN3O2S/c1-8(20)17-10-2-4-12-14(7-10)22-15(19-12)18-9-3-5-13(21)11(16)6-9/h2-7,21H,1H3,(H,17,20)(H,18,19)
InChIKeyUIEYZRXEDJUXOD-UHFFFAOYSA-N
MW333.80 g/mol
LogP4.36
Rot. Bonds3

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

N-[2-(3-chloro-4-hydroxyanilino)-1,3-benzothiazol-6-yl]acetamide (PubChem CID 142733972) has the molecular formula C15H12ClN3O2S and a molecular weight of 333.80 g/mol. Its IUPAC name is N-[2-(3-chloro-4-hydroxyanilino)-1,3-benzothiazol-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-hydroxyanilino)-1,3-benzothiazol-6-yl]acetamide
PubChem CID142733972
Molecular FormulaC15H12ClN3O2S
Molecular Weight333.80 g/mol
Exact Mass333.03
IUPAC NameN-[2-(3-chloro-4-hydroxyanilino)-1,3-benzothiazol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(Nc3ccc(O)c(Cl)c3)sc2c1
InChIInChI=1S/C15H12ClN3O2S/c1-8(20)17-10-2-4-12-14(7-10)22-15(19-12)18-9-3-5-13(21)11(16)6-9/h2-7,21H,1H3,(H,17,20)(H,18,19)
InChIKeyUIEYZRXEDJUXOD-UHFFFAOYSA-N
XLogP4.36
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-chloroquinoxalin-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide
CID 17272077
6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79527734
N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-6-yl]acetamide
CID 50882316
2-[(3-chloro-4-hydroxyphenyl)carbamoylamino]-N,N-dimethyl-1,3-benzothiazole-6-carboxamide
CID 151022798
N-(4-acetamidophenyl)-2-(pyridin-4-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117086862
N-[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46325782
(2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 2215184
1-(3-chloro-4-hydroxyphenyl)-3-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea
CID 127053135
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 46290994
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022
N-(6-acetamido-1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 2977549
N-(2-acetamido-1,3-benzothiazol-6-yl)-5-chloro-2-fluorobenzamide
CID 55769791

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-hydroxyanilino)-1,3-benzothiazol-6-yl]acetamide?
The IUPAC name of N-[2-(3-chloro-4-hydroxyanilino)-1,3-benzothiazol-6-yl]acetamide (CID 142733972) is N-[2-(3-chloro-4-hydroxyanilino)-1,3-benzothiazol-6-yl]acetamide.
What is the SMILES notation for N-[2-(3-chloro-4-hydroxyanilino)-1,3-benzothiazol-6-yl]acetamide?
The canonical SMILES for N-[2-(3-chloro-4-hydroxyanilino)-1,3-benzothiazol-6-yl]acetamide is CC(=O)Nc1ccc2nc(Nc3ccc(O)c(Cl)c3)sc2c1.
What is the InChIKey of N-[2-(3-chloro-4-hydroxyanilino)-1,3-benzothiazol-6-yl]acetamide?
The InChIKey is UIEYZRXEDJUXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S/c1-8(20)17-10-2-4-12-14(7-10)22-15(19-12)18-9-3-5-13(21)11(16)6-9/h2-7,21H,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(3-chloro-4-hydroxyanilino)-1,3-benzothiazol-6-yl]acetamide?
N-[2-(3-chloro-4-hydroxyanilino)-1,3-benzothiazol-6-yl]acetamide has a molecular weight of 333.80 g/mol, XLogP of 4.36, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-hydroxyanilino)-1,3-benzothiazol-6-yl]acetamide is sourced from PubChem (CID 142733972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).