2-amino-2-[4-(1,3-benzothiazol-5-ylamino)quinolin-6-yl]sulfonylacetamide

C18H15N5O3S2 — CID 71269681

IUPAC2-amino-2-[4-(1,3-benzothiazol-5-ylamino)quinolin-6-yl]sulfonylacetamide
SMILESNC(=O)C(N)S(=O)(=O)c1ccc2nccc(Nc3ccc4scnc4c3)c2c1
InChIInChI=1S/C18H15N5O3S2/c19-17(24)18(20)28(25,26)11-2-3-13-12(8-11)14(5-6-21-13)23-10-1-4-16-15(7-10)22-9-27-16/h1-9,18H,20H2,(H2,19,24)(H,21,23)
InChIKeyJGSFXAJCVUYNJQ-UHFFFAOYSA-N
MW413.48 g/mol
LogP2.13
Rot. Bonds5

About 2-amino-2-[4-(1,3-benzothiazol-5-ylamino)quinolin-6-yl]sulfonylacetamide

2-amino-2-[4-(1,3-benzothiazol-5-ylamino)quinolin-6-yl]sulfonylacetamide (PubChem CID 71269681) has the molecular formula C18H15N5O3S2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-amino-2-[4-(1,3-benzothiazol-5-ylamino)quinolin-6-yl]sulfonylacetamide.

Molecular Properties

Compound Name2-amino-2-[4-(1,3-benzothiazol-5-ylamino)quinolin-6-yl]sulfonylacetamide
PubChem CID71269681
Molecular FormulaC18H15N5O3S2
Molecular Weight413.48 g/mol
Exact Mass413.06
IUPAC Name2-amino-2-[4-(1,3-benzothiazol-5-ylamino)quinolin-6-yl]sulfonylacetamide
SMILESNC(=O)C(N)S(=O)(=O)c1ccc2nccc(Nc3ccc4scnc4c3)c2c1
InChIInChI=1S/C18H15N5O3S2/c19-17(24)18(20)28(25,26)11-2-3-13-12(8-11)14(5-6-21-13)23-10-1-4-16-15(7-10)22-9-27-16/h1-9,18H,20H2,(H2,19,24)(H,21,23)
InChIKeyJGSFXAJCVUYNJQ-UHFFFAOYSA-N
XLogP2.13
TPSA141.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-amino-2-[4-(1,3-benzothiazol-5-ylamino)quinolin-6-yl]sulfonylacetamide 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

N-(6-bromoquinolin-4-yl)-1,3-benzothiazol-5-amine
CID 171618380
(2R)-1-[4-(1,3-benzothiazol-5-ylamino)quinolin-6-yl]sulfonyl-2-methylpyrrolidin-1-ium-1-carboxylic acid
CID 118339845
1-[4-(1,3-benzothiazol-5-ylamino)quinolin-6-yl]sulfonyl-6-methylpiperidine-3-carboxylic acid
CID 71269582
N-(1,3-benzothiazol-5-yl)-2-methylthieno[2,3-g]quinolin-8-amine
CID 156805035
N-[6-(2,2,2-trifluoroethylsulfinyl)quinolin-4-yl]-1,3-benzothiazol-5-amine
CID 123896802
N-[6-(oxan-4-ylsulfinyl)quinolin-4-yl]-1,3-benzothiazol-5-amine
CID 123272248
N-(1,3-benzothiazol-5-yl)-2,3-dimethylthieno[2,3-g]quinolin-8-amine
CID 156804970
N-(1,3-benzothiazol-5-yl)-1,1-dioxo-2-propan-2-ylthieno[2,3-g]quinolin-8-amine
CID 156575906
N-(6-dimethylphosphoryl-7-methoxyquinolin-4-yl)-1,3-benzothiazol-5-amine
CID 165123357
4-[(1,3-benzothiazol-5-ylamino)methyl]-N-methoxyquinoline-6-sulfonamide
CID 123410047
N-(6-methylsulfanyl-7-propan-2-yloxyquinolin-4-yl)-1,3-benzothiazol-5-amine
CID 169214269
8-(1,3-benzothiazol-5-ylamino)-2-methyl-1-oxo-2-prop-2-enylthieno[2,3-g]quinolin-3-one
CID 156804975

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(1,3-benzothiazol-5-ylamino)quinolin-6-yl]sulfonylacetamide?
The IUPAC name of 2-amino-2-[4-(1,3-benzothiazol-5-ylamino)quinolin-6-yl]sulfonylacetamide (CID 71269681) is 2-amino-2-[4-(1,3-benzothiazol-5-ylamino)quinolin-6-yl]sulfonylacetamide.
What is the SMILES notation for 2-amino-2-[4-(1,3-benzothiazol-5-ylamino)quinolin-6-yl]sulfonylacetamide?
The canonical SMILES for 2-amino-2-[4-(1,3-benzothiazol-5-ylamino)quinolin-6-yl]sulfonylacetamide is NC(=O)C(N)S(=O)(=O)c1ccc2nccc(Nc3ccc4scnc4c3)c2c1.
What is the InChIKey of 2-amino-2-[4-(1,3-benzothiazol-5-ylamino)quinolin-6-yl]sulfonylacetamide?
The InChIKey is JGSFXAJCVUYNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3S2/c19-17(24)18(20)28(25,26)11-2-3-13-12(8-11)14(5-6-21-13)23-10-1-4-16-15(7-10)22-9-27-16/h1-9,18H,20H2,(H2,19,24)(H,21,23).
What are the key properties of 2-amino-2-[4-(1,3-benzothiazol-5-ylamino)quinolin-6-yl]sulfonylacetamide?
2-amino-2-[4-(1,3-benzothiazol-5-ylamino)quinolin-6-yl]sulfonylacetamide has a molecular weight of 413.48 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(1,3-benzothiazol-5-ylamino)quinolin-6-yl]sulfonylacetamide is sourced from PubChem (CID 71269681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).