(2S)-2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide

C15H25N3OS — CID 119713639

IUPAC(2S)-2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
SMILESCCC1CCc2nc(NC(=O)[C@@H](N)C(C)(C)C)sc2C1
InChIInChI=1S/C15H25N3OS/c1-5-9-6-7-10-11(8-9)20-14(17-10)18-13(19)12(16)15(2,3)4/h9,12H,5-8,16H2,1-4H3,(H,17,18,19)/t9?,12-/m1/s1
InChIKeyQUUUUMJEJVEJAC-FFFFSGIJSA-N
MW295.45 g/mol
LogP2.97
Rot. Bonds3

About (2S)-2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide

(2S)-2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide (PubChem CID 119713639) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is (2S)-2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
PubChem CID119713639
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name(2S)-2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
SMILESCCC1CCc2nc(NC(=O)[C@@H](N)C(C)(C)C)sc2C1
InChIInChI=1S/C15H25N3OS/c1-5-9-6-7-10-11(8-9)20-14(17-10)18-13(19)12(16)15(2,3)4/h9,12H,5-8,16H2,1-4H3,(H,17,18,19)/t9?,12-/m1/s1
InChIKeyQUUUUMJEJVEJAC-FFFFSGIJSA-N
XLogP2.97
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide with MolForge

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Related Compounds

2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide
CID 120786534
(2S)-N-[(6S)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-methylsulfonylpropanamide
CID 94112837
2-(aminomethyl)-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 119713649
6-ethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 62942724
N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 155944261
N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119713660
2-(2,4-dimethoxyphenyl)-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 55810242
N-[(6R)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 94666300
N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 87189954
(2R)-2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbutanamide
CID 79013354
1-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[1-(2-methoxyethyl)piperidin-4-yl]urea
CID 126791727
3-amino-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 119689310

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide (CID 119713639) is (2S)-2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide is CCC1CCc2nc(NC(=O)[C@@H](N)C(C)(C)C)sc2C1.
What is the InChIKey of (2S)-2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide?
The InChIKey is QUUUUMJEJVEJAC-FFFFSGIJSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-5-9-6-7-10-11(8-9)20-14(17-10)18-13(19)12(16)15(2,3)4/h9,12H,5-8,16H2,1-4H3,(H,17,18,19)/t9?,12-/m1/s1.
What are the key properties of (2S)-2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide?
(2S)-2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide has a molecular weight of 295.45 g/mol, XLogP of 2.97, 3 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-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 119713639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).