(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide

C12H15N3OS — CID 119272632

IUPAC(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide
SMILESC[C@@H](N)C(=O)NCCc1nc2ccccc2s1
InChIInChI=1S/C12H15N3OS/c1-8(13)12(16)14-7-6-11-15-9-4-2-3-5-10(9)17-11/h2-5,8H,6-7,13H2,1H3,(H,14,16)/t8-/m1/s1
InChIKeyQUIPWACOKFBAIS-MRVPVSSYSA-N
MW249.34 g/mol
LogP1.30
Rot. Bonds4

About (2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide

(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide (PubChem CID 119272632) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide
PubChem CID119272632
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide
SMILESC[C@@H](N)C(=O)NCCc1nc2ccccc2s1
InChIInChI=1S/C12H15N3OS/c1-8(13)12(16)14-7-6-11-15-9-4-2-3-5-10(9)17-11/h2-5,8H,6-7,13H2,1H3,(H,14,16)/t8-/m1/s1
InChIKeyQUIPWACOKFBAIS-MRVPVSSYSA-N
XLogP1.30
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.30
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-(1,3-benzothiazol-2-ylmethyl)propanamide;hydrochloride
CID 119269745
(2S)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]butanamide;hydrochloride
CID 119272637
2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]butanediamide
CID 119956149
2-amino-5-[2-(1,3-benzothiazol-2-yl)ethylamino]-5-oxopentanoic acid
CID 123251133
2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methylpropanamide;hydrochloride
CID 119272618
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 51207918
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 114996265
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-methylphenoxy)propanamide
CID 51207939
3-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 119692188
2-[[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 78818801
1-N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-methylbutane-1,2-diamine
CID 83961929

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide (CID 119272632) is (2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide is C[C@@H](N)C(=O)NCCc1nc2ccccc2s1.
What is the InChIKey of (2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide?
The InChIKey is QUIPWACOKFBAIS-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8(13)12(16)14-7-6-11-15-9-4-2-3-5-10(9)17-11/h2-5,8H,6-7,13H2,1H3,(H,14,16)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide?
(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide has a molecular weight of 249.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 119272632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).