4-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)butanamide

C14H17N3OS — CID 119306517

IUPAC4-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)butanamide
SMILESNCCCC(=O)Nc1ccc2nc(C3CC3)sc2c1
InChIInChI=1S/C14H17N3OS/c15-7-1-2-13(18)16-10-5-6-11-12(8-10)19-14(17-11)9-3-4-9/h5-6,8-9H,1-4,7,15H2,(H,16,18)
InChIKeyRXRSIXIYGQDXRT-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.85
Rot. Bonds5

About 4-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)butanamide

4-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)butanamide (PubChem CID 119306517) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)butanamide
PubChem CID119306517
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name4-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)butanamide
SMILESNCCCC(=O)Nc1ccc2nc(C3CC3)sc2c1
InChIInChI=1S/C14H17N3OS/c15-7-1-2-13(18)16-10-5-6-11-12(8-10)19-14(17-11)9-3-4-9/h5-6,8-9H,1-4,7,15H2,(H,16,18)
InChIKeyRXRSIXIYGQDXRT-UHFFFAOYSA-N
XLogP2.85
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide;hydrochloride
CID 119306495
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 95284997
4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride
CID 119264601
N-cyclooctyl-N'-(2-cyclopropyl-1,3-benzothiazol-6-yl)oxamide
CID 71882814
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide
CID 167907220
2-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)acetamide
CID 120667928
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 75364529
(2S)-2-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119306502
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,1-dioxothiolane-3-carboxamide
CID 75418385
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide
CID 119306490
3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119754276
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1-methylpyrazole-4-carboxamide
CID 51099308

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)butanamide?
The IUPAC name of 4-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)butanamide (CID 119306517) is 4-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)butanamide.
What is the SMILES notation for 4-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)butanamide?
The canonical SMILES for 4-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)butanamide is NCCCC(=O)Nc1ccc2nc(C3CC3)sc2c1.
What is the InChIKey of 4-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)butanamide?
The InChIKey is RXRSIXIYGQDXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c15-7-1-2-13(18)16-10-5-6-11-12(8-10)19-14(17-11)9-3-4-9/h5-6,8-9H,1-4,7,15H2,(H,16,18).
What are the key properties of 4-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)butanamide?
4-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)butanamide has a molecular weight of 275.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)butanamide is sourced from PubChem (CID 119306517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).