4-amino-N-(1,3-benzothiazol-2-ylmethyl)butanamide

C12H15N3OS — CID 61248575

IUPAC4-amino-N-(1,3-benzothiazol-2-ylmethyl)butanamide
SMILESNCCCC(=O)NCc1nc2ccccc2s1
InChIInChI=1S/C12H15N3OS/c13-7-3-6-11(16)14-8-12-15-9-4-1-2-5-10(9)17-12/h1-2,4-5H,3,6-8,13H2,(H,14,16)
InChIKeySIYWQTJIITUUSI-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.65
Rot. Bonds5

About 4-amino-N-(1,3-benzothiazol-2-ylmethyl)butanamide

4-amino-N-(1,3-benzothiazol-2-ylmethyl)butanamide (PubChem CID 61248575) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-amino-N-(1,3-benzothiazol-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(1,3-benzothiazol-2-ylmethyl)butanamide
PubChem CID61248575
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name4-amino-N-(1,3-benzothiazol-2-ylmethyl)butanamide
SMILESNCCCC(=O)NCc1nc2ccccc2s1
InChIInChI=1S/C12H15N3OS/c13-7-3-6-11(16)14-8-12-15-9-4-1-2-5-10(9)17-12/h1-2,4-5H,3,6-8,13H2,(H,14,16)
InChIKeySIYWQTJIITUUSI-UHFFFAOYSA-N
XLogP1.65
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-benzothiazol-2-ylmethylamino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 38285048
4-(1,3-benzothiazol-2-yl)-N-benzylbutanamide
CID 2598266
N-(1,3-benzothiazol-2-ylmethyl)-3-cyclohexylpropanamide
CID 43003046
N-(1,3-benzothiazol-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 39703940
N-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide
CID 60657144
N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 9296966
N-(1,3-benzothiazol-2-ylmethyl)-3-(4-tert-butylphenyl)propanamide
CID 24543254
N-(1,3-benzothiazol-2-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 60730154
1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661
N-(2-amino-2-methylpropyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 119625961
5-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]pentanamide
CID 9270471
1-amino-N-(1,3-benzothiazol-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119686687

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-benzothiazol-2-ylmethyl)butanamide?
The IUPAC name of 4-amino-N-(1,3-benzothiazol-2-ylmethyl)butanamide (CID 61248575) is 4-amino-N-(1,3-benzothiazol-2-ylmethyl)butanamide.
What is the SMILES notation for 4-amino-N-(1,3-benzothiazol-2-ylmethyl)butanamide?
The canonical SMILES for 4-amino-N-(1,3-benzothiazol-2-ylmethyl)butanamide is NCCCC(=O)NCc1nc2ccccc2s1.
What is the InChIKey of 4-amino-N-(1,3-benzothiazol-2-ylmethyl)butanamide?
The InChIKey is SIYWQTJIITUUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c13-7-3-6-11(16)14-8-12-15-9-4-1-2-5-10(9)17-12/h1-2,4-5H,3,6-8,13H2,(H,14,16).
What are the key properties of 4-amino-N-(1,3-benzothiazol-2-ylmethyl)butanamide?
4-amino-N-(1,3-benzothiazol-2-ylmethyl)butanamide has a molecular weight of 249.34 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-benzothiazol-2-ylmethyl)butanamide is sourced from PubChem (CID 61248575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).