3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide;hydrochloride

C13H16ClN3OS — CID 119306495

IUPAC3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide;hydrochloride
SMILESCl.NCCC(=O)Nc1ccc2nc(C3CC3)sc2c1
InChIInChI=1S/C13H15N3OS.ClH/c14-6-5-12(17)15-9-3-4-10-11(7-9)18-13(16-10)8-1-2-8;/h3-4,7-8H,1-2,5-6,14H2,(H,15,17);1H
InChIKeyKMGJASFIQKUKJY-UHFFFAOYSA-N
MW297.81 g/mol
LogP2.88
Rot. Bonds4

About 3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide;hydrochloride

3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide;hydrochloride (PubChem CID 119306495) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is 3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide;hydrochloride
PubChem CID119306495
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC Name3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide;hydrochloride
SMILESCl.NCCC(=O)Nc1ccc2nc(C3CC3)sc2c1
InChIInChI=1S/C13H15N3OS.ClH/c14-6-5-12(17)15-9-3-4-10-11(7-9)18-13(16-10)8-1-2-8;/h3-4,7-8H,1-2,5-6,14H2,(H,15,17);1H
InChIKeyKMGJASFIQKUKJY-UHFFFAOYSA-N
XLogP2.88
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)butanamide
CID 119306517
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 95284997
3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119754276
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide
CID 167907220
(2S)-2-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119306502
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 75364529
N-cyclooctyl-N'-(2-cyclopropyl-1,3-benzothiazol-6-yl)oxamide
CID 71882814
4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride
CID 119264601
3-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)propanamide
CID 83627412
3-amino-N-(2-propylsulfanyl-1,3-benzothiazol-6-yl)propanamide
CID 165354359
2-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)acetamide
CID 120667928
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,1-dioxothiolane-3-carboxamide
CID 75418385

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide;hydrochloride (CID 119306495) is 3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide;hydrochloride is Cl.NCCC(=O)Nc1ccc2nc(C3CC3)sc2c1.
What is the InChIKey of 3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide;hydrochloride?
The InChIKey is KMGJASFIQKUKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS.ClH/c14-6-5-12(17)15-9-3-4-10-11(7-9)18-13(16-10)8-1-2-8;/h3-4,7-8H,1-2,5-6,14H2,(H,15,17);1H.
What are the key properties of 3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide;hydrochloride?
3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide;hydrochloride has a molecular weight of 297.81 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide;hydrochloride is sourced from PubChem (CID 119306495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).