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

C14H19N3O2S — CID 61173509

IUPAC(2S)-2-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1nc2ccc(OC)cc2s1
InChIInChI=1S/C14H19N3O2S/c1-4-8(2)12(15)13(18)17-14-16-10-6-5-9(19-3)7-11(10)20-14/h5-8,12H,4,15H2,1-3H3,(H,16,17,18)/t8?,12-/m0/s1
InChIKeyWHKDBHKLPFZOIY-MYIOLCAUSA-N
MW293.39 g/mol
LogP2.62
Rot. Bonds5

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

(2S)-2-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylpentanamide (PubChem CID 61173509) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is (2S)-2-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylpentanamide
PubChem CID61173509
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name(2S)-2-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1nc2ccc(OC)cc2s1
InChIInChI=1S/C14H19N3O2S/c1-4-8(2)12(15)13(18)17-14-16-10-6-5-9(19-3)7-11(10)20-14/h5-8,12H,4,15H2,1-3H3,(H,16,17,18)/t8?,12-/m0/s1
InChIKeyWHKDBHKLPFZOIY-MYIOLCAUSA-N
XLogP2.62
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpentanamide
CID 884256
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylpropanamide
CID 107020679
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 54924268
(2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylbutanamide
CID 845796
4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496132
2-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)hexanamide
CID 4036340
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybutanamide
CID 2948680
(2S)-2-amino-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-N-methylpropanamide
CID 134235960
2-chloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]propanamide
CID 43328820
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylpentanamide (CID 61173509) is (2S)-2-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylpentanamide is CCC(C)[C@H](N)C(=O)Nc1nc2ccc(OC)cc2s1.
What is the InChIKey of (2S)-2-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylpentanamide?
The InChIKey is WHKDBHKLPFZOIY-MYIOLCAUSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-4-8(2)12(15)13(18)17-14-16-10-6-5-9(19-3)7-11(10)20-14/h5-8,12H,4,15H2,1-3H3,(H,16,17,18)/t8?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylpentanamide?
(2S)-2-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylpentanamide has a molecular weight of 293.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylpentanamide is sourced from PubChem (CID 61173509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).