(2R)-2-amino-N-(1,3-benzothiazol-2-ylmethyl)propanamide;hydrochloride

C11H14ClN3OS — CID 119269745

IUPAC(2R)-2-amino-N-(1,3-benzothiazol-2-ylmethyl)propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCc1nc2ccccc2s1.Cl
InChIInChI=1S/C11H13N3OS.ClH/c1-7(12)11(15)13-6-10-14-8-4-2-3-5-9(8)16-10;/h2-5,7H,6,12H2,1H3,(H,13,15);1H/t7-;/m1./s1
InChIKeyQDCQWJFUPOWSCI-OGFXRTJISA-N
MW271.77 g/mol
LogP1.68
Rot. Bonds3

About (2R)-2-amino-N-(1,3-benzothiazol-2-ylmethyl)propanamide;hydrochloride

(2R)-2-amino-N-(1,3-benzothiazol-2-ylmethyl)propanamide;hydrochloride (PubChem CID 119269745) has the molecular formula C11H14ClN3OS and a molecular weight of 271.77 g/mol. Its IUPAC name is (2R)-2-amino-N-(1,3-benzothiazol-2-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-(1,3-benzothiazol-2-ylmethyl)propanamide;hydrochloride
PubChem CID119269745
Molecular FormulaC11H14ClN3OS
Molecular Weight271.77 g/mol
Exact Mass271.05
IUPAC Name(2R)-2-amino-N-(1,3-benzothiazol-2-ylmethyl)propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCc1nc2ccccc2s1.Cl
InChIInChI=1S/C11H13N3OS.ClH/c1-7(12)11(15)13-6-10-14-8-4-2-3-5-9(8)16-10;/h2-5,7H,6,12H2,1H3,(H,13,15);1H/t7-;/m1./s1
InChIKeyQDCQWJFUPOWSCI-OGFXRTJISA-N
XLogP1.68
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide;hydrochloride
CID 119272631
(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide
CID 119272632
N-(1,3-benzothiazol-2-ylmethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119686710
N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide
CID 47098657
2-amino-N-(1,3-benzothiazol-2-ylmethyl)butanediamide
CID 61247861
N-(1,3-benzothiazol-2-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 60730154
1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661
(2R)-2-amino-3-(1,3-benzothiazol-2-yl)propanoic acid;hydrochloride
CID 155669952
1-amino-N-(1,3-benzothiazol-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119686687
1-(1,3-benzothiazol-2-ylmethyl)-3-(1-hydroxypropan-2-yl)urea
CID 75415093
N-(1,3-benzothiazol-2-ylmethyl)-2-propan-2-ylsulfanylacetamide
CID 31848340
2-(1-aminoethyl)-N-(1,3-benzothiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66389325

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1,3-benzothiazol-2-ylmethyl)propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-(1,3-benzothiazol-2-ylmethyl)propanamide;hydrochloride (CID 119269745) is (2R)-2-amino-N-(1,3-benzothiazol-2-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-(1,3-benzothiazol-2-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-(1,3-benzothiazol-2-ylmethyl)propanamide;hydrochloride is C[C@@H](N)C(=O)NCc1nc2ccccc2s1.Cl.
What is the InChIKey of (2R)-2-amino-N-(1,3-benzothiazol-2-ylmethyl)propanamide;hydrochloride?
The InChIKey is QDCQWJFUPOWSCI-OGFXRTJISA-N. The full InChI is InChI=1S/C11H13N3OS.ClH/c1-7(12)11(15)13-6-10-14-8-4-2-3-5-9(8)16-10;/h2-5,7H,6,12H2,1H3,(H,13,15);1H/t7-;/m1./s1.
What are the key properties of (2R)-2-amino-N-(1,3-benzothiazol-2-ylmethyl)propanamide;hydrochloride?
(2R)-2-amino-N-(1,3-benzothiazol-2-ylmethyl)propanamide;hydrochloride has a molecular weight of 271.77 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1,3-benzothiazol-2-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119269745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).