(2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-methylpentanamide

C13H16ClN3OS — CID 14285781

IUPAC(2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C13H16ClN3OS/c1-7(2)5-9(15)12(18)17-13-16-10-4-3-8(14)6-11(10)19-13/h3-4,6-7,9H,5,15H2,1-2H3,(H,16,17,18)/t9-/m0/s1
InChIKeyWUZWQOYWPBJZRP-VIFPVBQESA-N
MW297.81 g/mol
LogP3.26
Rot. Bonds4

About (2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-methylpentanamide

(2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-methylpentanamide (PubChem CID 14285781) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is (2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-methylpentanamide
PubChem CID14285781
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC Name(2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C13H16ClN3OS/c1-7(2)5-9(15)12(18)17-13-16-10-4-3-8(14)6-11(10)19-13/h3-4,6-7,9H,5,15H2,1-2H3,(H,16,17,18)/t9-/m0/s1
InChIKeyWUZWQOYWPBJZRP-VIFPVBQESA-N
XLogP3.26
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
(2R)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 29048022
2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 18774937
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)propanamide
CID 18837926
2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 79790796
N-(6-chloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 4099366
N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenyl-2-sulfanylpropanamide
CID 169288590
2-(butan-2-ylamino)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 60852655
N-[(2S)-1-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 2388119
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304724
3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 61091396

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-methylpentanamide (CID 14285781) is (2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-methylpentanamide is CC(C)C[C@H](N)C(=O)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of (2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-methylpentanamide?
The InChIKey is WUZWQOYWPBJZRP-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16ClN3OS/c1-7(2)5-9(15)12(18)17-13-16-10-4-3-8(14)6-11(10)19-13/h3-4,6-7,9H,5,15H2,1-2H3,(H,16,17,18)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-methylpentanamide?
(2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-methylpentanamide has a molecular weight of 297.81 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-methylpentanamide is sourced from PubChem (CID 14285781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).