(2R)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenylacetamide

C15H12ClN3OS — CID 29048022

IUPAC(2R)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenylacetamide
SMILESN[C@@H](C(=O)Nc1nc2ccc(Cl)cc2s1)c1ccccc1
InChIInChI=1S/C15H12ClN3OS/c16-10-6-7-11-12(8-10)21-15(18-11)19-14(20)13(17)9-4-2-1-3-5-9/h1-8,13H,17H2,(H,18,19,20)/t13-/m1/s1
InChIKeyVGGKOGSKPKCIGK-CYBMUJFWSA-N
MW317.80 g/mol
LogP3.59
Rot. Bonds3

About (2R)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenylacetamide

(2R)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenylacetamide (PubChem CID 29048022) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is (2R)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenylacetamide
PubChem CID29048022
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC Name(2R)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenylacetamide
SMILESN[C@@H](C(=O)Nc1nc2ccc(Cl)cc2s1)c1ccccc1
InChIInChI=1S/C15H12ClN3OS/c16-10-6-7-11-12(8-10)21-15(18-11)19-14(20)13(17)9-4-2-1-3-5-9/h1-8,13H,17H2,(H,18,19,20)/t13-/m1/s1
InChIKeyVGGKOGSKPKCIGK-CYBMUJFWSA-N
XLogP3.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenyl-2-sulfanylpropanamide
CID 169288590
2-amino-2-(4-chlorophenyl)-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]acetamide
CID 89091069
(2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-methylpentanamide
CID 14285781
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N-[(2S)-1-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 2388119
2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)hexanamide
CID 60852925
(2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)hexanamide
CID 107143831
N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 4162371
N-(6-chloro-1,3-benzothiazol-2-yl)-4-oxo-4-phenylbutanamide
CID 71454867
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 18774937
N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 836745

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenylacetamide?
The IUPAC name of (2R)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenylacetamide (CID 29048022) is (2R)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenylacetamide is N[C@@H](C(=O)Nc1nc2ccc(Cl)cc2s1)c1ccccc1.
What is the InChIKey of (2R)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenylacetamide?
The InChIKey is VGGKOGSKPKCIGK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c16-10-6-7-11-12(8-10)21-15(18-11)19-14(20)13(17)9-4-2-1-3-5-9/h1-8,13H,17H2,(H,18,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenylacetamide?
(2R)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenylacetamide has a molecular weight of 317.80 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenylacetamide is sourced from PubChem (CID 29048022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).