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

C12H15N3OS — CID 114003191

IUPAC2-amino-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C12H15N3OS/c1-3-12(2,13)11(16)15-8-4-5-9-10(6-8)17-7-14-9/h4-7H,3,13H2,1-2H3,(H,15,16)
InChIKeyQOYNSRVPBYQJOR-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.36
Rot. Bonds3

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

2-amino-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide (PubChem CID 114003191) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide
PubChem CID114003191
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2-amino-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C12H15N3OS/c1-3-12(2,13)11(16)15-8-4-5-9-10(6-8)17-7-14-9/h4-7H,3,13H2,1-2H3,(H,15,16)
InChIKeyQOYNSRVPBYQJOR-UHFFFAOYSA-N
XLogP2.36
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide
CID 107805169
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpentanamide;hydrochloride
CID 119734502
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070
2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide
CID 114003187
3-(1,3-benzothiazol-6-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 114002723
2-amino-2-methyl-N-quinolin-6-ylbutanamide
CID 79811443
N-(1,3-benzothiazol-6-yl)-2-bromobutanamide
CID 107804110
2,2,2-trifluoroethyl N-(1,3-benzothiazol-6-yl)carbamate
CID 103280971
2-amino-N-(1,3-benzothiazol-6-yl)hexanamide
CID 103832730
2-amino-N-(3-bromo-4-methylphenyl)-2-methylbutanamide
CID 79810570
methyl 2-(1,3-benzothiazol-6-ylamino)-2-oxoacetate
CID 107800350
2-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxypropanamide
CID 135386759

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide?
The IUPAC name of 2-amino-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide (CID 114003191) is 2-amino-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide?
The canonical SMILES for 2-amino-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide is CCC(C)(N)C(=O)Nc1ccc2ncsc2c1.
What is the InChIKey of 2-amino-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide?
The InChIKey is QOYNSRVPBYQJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-3-12(2,13)11(16)15-8-4-5-9-10(6-8)17-7-14-9/h4-7H,3,13H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide?
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide has a molecular weight of 249.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide is sourced from PubChem (CID 114003191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).