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

C12H14ClN3OS — CID 79790796

IUPAC2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C12H14ClN3OS/c1-3-12(2,14)10(17)16-11-15-8-5-4-7(13)6-9(8)18-11/h4-6H,3,14H2,1-2H3,(H,15,16,17)
InChIKeyXOUUEEXJPPJFBM-UHFFFAOYSA-N
MW283.78 g/mol
LogP3.02
Rot. Bonds3

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

2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbutanamide (PubChem CID 79790796) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is 2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbutanamide
PubChem CID79790796
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C12H14ClN3OS/c1-3-12(2,14)10(17)16-11-15-8-5-4-7(13)6-9(8)18-11/h4-6H,3,14H2,1-2H3,(H,15,16,17)
InChIKeyXOUUEEXJPPJFBM-UHFFFAOYSA-N
XLogP3.02
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 4099366
3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-N,2,2-trimethylpropanamide
CID 106278880
2-tert-butylsulfanyl-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 112794492
6-chloro-N-(2,2-dimethylbutyl)-1,3-benzothiazol-2-amine
CID 103462911
N-(6-chloro-1,3-benzothiazol-2-yl)-2-phosphonatoacetamide
CID 2075016
N-(6-chloro-1,3-benzothiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619477
2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide
CID 60846825
(2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)hexanamide
CID 107143831
ethyl (E)-4-[(6-chloro-1,3-benzothiazol-2-yl)amino]-4-oxobut-2-enoate
CID 54783242
2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)hexanamide
CID 60852925
2-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pentanamide;hydrochloride
CID 119719229
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbutanamide?
The IUPAC name of 2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbutanamide (CID 79790796) is 2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbutanamide?
The canonical SMILES for 2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbutanamide is CCC(C)(N)C(=O)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of 2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbutanamide?
The InChIKey is XOUUEEXJPPJFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-3-12(2,14)10(17)16-11-15-8-5-4-7(13)6-9(8)18-11/h4-6H,3,14H2,1-2H3,(H,15,16,17).
What are the key properties of 2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbutanamide?
2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbutanamide has a molecular weight of 283.78 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbutanamide is sourced from PubChem (CID 79790796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).