(2S)-2-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]propanamide

C16H15N3OS — CID 25125097

IUPAC(2S)-2-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]propanamide
SMILESC[C@H](N)C(=O)Nc1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C16H15N3OS/c1-10(17)15(20)18-12-7-3-2-6-11(12)16-19-13-8-4-5-9-14(13)21-16/h2-10H,17H2,1H3,(H,18,20)/t10-/m0/s1
InChIKeyVMYNFRZESNSTLF-JTQLQIEISA-N
MW297.38 g/mol
LogP3.25
Rot. Bonds3

About (2S)-2-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]propanamide

(2S)-2-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]propanamide (PubChem CID 25125097) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]propanamide
PubChem CID25125097
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name(2S)-2-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]propanamide
SMILESC[C@H](N)C(=O)Nc1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C16H15N3OS/c1-10(17)15(20)18-12-7-3-2-6-11(12)16-19-13-8-4-5-9-14(13)21-16/h2-10H,17H2,1H3,(H,18,20)/t10-/m0/s1
InChIKeyVMYNFRZESNSTLF-JTQLQIEISA-N
XLogP3.25
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-pyrazol-1-ylpropanamide
CID 134048421
2-amino-5-[2-(1,3-benzothiazol-2-yl)anilino]-5-oxopentanoic acid
CID 131973516
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide
CID 16549812
4-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-methylbenzamide
CID 123563775
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide
CID 2067664
4-acetamido-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide
CID 26181585
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45029639
N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]propanamide
CID 953197
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 55686685
N-[2-(1,3-benzothiazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 3839053
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromobenzamide
CID 2067806
N-[2-(1,3-benzothiazol-2-yl)-4-ethylphenyl]acetamide
CID 132574675

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]propanamide (CID 25125097) is (2S)-2-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]propanamide is C[C@H](N)C(=O)Nc1ccccc1-c1nc2ccccc2s1.
What is the InChIKey of (2S)-2-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]propanamide?
The InChIKey is VMYNFRZESNSTLF-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10(17)15(20)18-12-7-3-2-6-11(12)16-19-13-8-4-5-9-14(13)21-16/h2-10H,17H2,1H3,(H,18,20)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]propanamide?
(2S)-2-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]propanamide has a molecular weight of 297.38 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 25125097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).