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

C14H18N2O2S — CID 884256

IUPAC(2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpentanamide
SMILESCCC[C@H](C)C(=O)Nc1nc2ccc(OC)cc2s1
InChIInChI=1S/C14H18N2O2S/c1-4-5-9(2)13(17)16-14-15-11-7-6-10(18-3)8-12(11)19-14/h6-9H,4-5H2,1-3H3,(H,15,16,17)/t9-/m0/s1
InChIKeySRNLPPAWUMYVLS-VIFPVBQESA-N
MW278.38 g/mol
LogP3.68
Rot. Bonds5

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

(2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpentanamide (PubChem CID 884256) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is (2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpentanamide.

Molecular Properties

Compound Name(2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpentanamide
PubChem CID884256
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name(2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpentanamide
SMILESCCC[C@H](C)C(=O)Nc1nc2ccc(OC)cc2s1
InChIInChI=1S/C14H18N2O2S/c1-4-5-9(2)13(17)16-14-15-11-7-6-10(18-3)8-12(11)19-14/h6-9H,4-5H2,1-3H3,(H,15,16,17)/t9-/m0/s1
InChIKeySRNLPPAWUMYVLS-VIFPVBQESA-N
XLogP3.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)hexanamide
CID 4036340
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylpropanamide
CID 107020679
(2S)-2-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylpentanamide
CID 61173509
4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496132
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 62729387
2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanamide
CID 3145091
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
(2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylbutanamide
CID 845796
(2S)-2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)pentanamide
CID 940073
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybutanamide
CID 2948680
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 54924268
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide
CID 17244734

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpentanamide?
The IUPAC name of (2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpentanamide (CID 884256) is (2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpentanamide.
What is the SMILES notation for (2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpentanamide?
The canonical SMILES for (2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpentanamide is CCC[C@H](C)C(=O)Nc1nc2ccc(OC)cc2s1.
What is the InChIKey of (2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpentanamide?
The InChIKey is SRNLPPAWUMYVLS-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-4-5-9(2)13(17)16-14-15-11-7-6-10(18-3)8-12(11)19-14/h6-9H,4-5H2,1-3H3,(H,15,16,17)/t9-/m0/s1.
What are the key properties of (2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpentanamide?
(2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpentanamide has a molecular weight of 278.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpentanamide is sourced from PubChem (CID 884256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).