N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide

C15H13ClN4O3S2 — CID 44623339

IUPACN-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(C)(=O)=O)c3)cc2s1
InChIInChI=1S/C15H13ClN4O3S2/c1-8(21)18-15-19-11-4-3-9(6-13(11)24-15)10-5-12(14(16)17-7-10)20-25(2,22)23/h3-7,20H,1-2H3,(H,18,19,21)
InChIKeyPBJUXNIDOLNGHT-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.34
Rot. Bonds4

About N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide

N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 44623339) has the molecular formula C15H13ClN4O3S2 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
PubChem CID44623339
Molecular FormulaC15H13ClN4O3S2
Molecular Weight396.88 g/mol
Exact Mass396.01
IUPAC NameN-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(C)(=O)=O)c3)cc2s1
InChIInChI=1S/C15H13ClN4O3S2/c1-8(21)18-15-19-11-4-3-9(6-13(11)24-15)10-5-12(14(16)17-7-10)20-25(2,22)23/h3-7,20H,1-2H3,(H,18,19,21)
InChIKeyPBJUXNIDOLNGHT-UHFFFAOYSA-N
XLogP3.34
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-chloro-3-pyridinyl]-carboxycarbamic acid
CID 87557292
(2R)-N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2,3-dihydroxypropanamide
CID 45102288
N-[6-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-yl]acetamide
CID 132578588
N-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide
CID 51354316
N-[6-[3-[(4-tert-butylphenyl)sulfonylamino]-4-methylphenyl]-1,3-benzothiazol-2-yl]acetamide
CID 89423683
N-[6-(6-ethyl-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
CID 118721835
N-[6-[6-chloro-5-(propan-2-ylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]-2-[(2S)-oxolan-2-yl]acetamide
CID 87267492
N-[6-(5-amino-6-chloro-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;5-bromo-2-chloropyridin-3-amine;4-chlorobenzenesulfonyl chloride;N-[6-[6-chloro-5-[(4-chlorophenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;pyridine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide
CID 160668097
N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 134203953
N-[2-chloro-5-[2-(cyclopropylmethylamino)-1,3-benzothiazol-6-yl]-3-pyridinyl]benzamide
CID 122185882
N-[6-[5-[(4-methoxyphenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 51354315
cyclohexyl N-[2-methyl-5-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-1,3-benzothiazol-6-yl]-3-pyridinyl]carbamate
CID 159827142

Frequently Asked Questions

What is the IUPAC name of N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide (CID 44623339) is N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(C)(=O)=O)c3)cc2s1.
What is the InChIKey of N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is PBJUXNIDOLNGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3S2/c1-8(21)18-15-19-11-4-3-9(6-13(11)24-15)10-5-12(14(16)17-7-10)20-25(2,22)23/h3-7,20H,1-2H3,(H,18,19,21).
What are the key properties of N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide?
N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 396.88 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 44623339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).