N-[2-[(3-chloroquinoxalin-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide

C17H12ClN5OS — CID 17272077

IUPACN-[2-[(3-chloroquinoxalin-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(Nc3nc4ccccc4nc3Cl)sc2c1
InChIInChI=1S/C17H12ClN5OS/c1-9(24)19-10-6-7-13-14(8-10)25-17(22-13)23-16-15(18)20-11-4-2-3-5-12(11)21-16/h2-8H,1H3,(H,19,24)(H,21,22,23)
InChIKeyCGXUJPWHPKMLRJ-UHFFFAOYSA-N
MW369.84 g/mol
LogP4.59
Rot. Bonds3

About N-[2-[(3-chloroquinoxalin-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide

N-[2-[(3-chloroquinoxalin-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide (PubChem CID 17272077) has the molecular formula C17H12ClN5OS and a molecular weight of 369.84 g/mol. Its IUPAC name is N-[2-[(3-chloroquinoxalin-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-chloroquinoxalin-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide
PubChem CID17272077
Molecular FormulaC17H12ClN5OS
Molecular Weight369.84 g/mol
Exact Mass369.05
IUPAC NameN-[2-[(3-chloroquinoxalin-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(Nc3nc4ccccc4nc3Cl)sc2c1
InChIInChI=1S/C17H12ClN5OS/c1-9(24)19-10-6-7-13-14(8-10)25-17(22-13)23-16-15(18)20-11-4-2-3-5-12(11)21-16/h2-8H,1H3,(H,19,24)(H,21,22,23)
InChIKeyCGXUJPWHPKMLRJ-UHFFFAOYSA-N
XLogP4.59
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.84
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(3-chloroquinoxalin-2-yl)amino]-1,3-benzothiazole-6-carboxylate
CID 108776103
N-[2-(3-chloro-4-hydroxyanilino)-1,3-benzothiazol-6-yl]acetamide
CID 142733972
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022
N-[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46325782
N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-6-yl]acetamide
CID 50882316
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-chloro-1-benzothiophene-2-carboxamide
CID 1010853
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide
CID 51336725
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 46290994
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybutanamide
CID 24627839
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 134046171
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-nitrobenzamide
CID 4622508
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)benzamide
CID 134046175

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloroquinoxalin-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide?
The IUPAC name of N-[2-[(3-chloroquinoxalin-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide (CID 17272077) is N-[2-[(3-chloroquinoxalin-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide.
What is the SMILES notation for N-[2-[(3-chloroquinoxalin-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide?
The canonical SMILES for N-[2-[(3-chloroquinoxalin-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide is CC(=O)Nc1ccc2nc(Nc3nc4ccccc4nc3Cl)sc2c1.
What is the InChIKey of N-[2-[(3-chloroquinoxalin-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide?
The InChIKey is CGXUJPWHPKMLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5OS/c1-9(24)19-10-6-7-13-14(8-10)25-17(22-13)23-16-15(18)20-11-4-2-3-5-12(11)21-16/h2-8H,1H3,(H,19,24)(H,21,22,23).
What are the key properties of N-[2-[(3-chloroquinoxalin-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide?
N-[2-[(3-chloroquinoxalin-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide has a molecular weight of 369.84 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloroquinoxalin-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide is sourced from PubChem (CID 17272077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).