(2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide

C12H13N3OS — CID 54995648

IUPAC(2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C12H13N3OS/c1-8(13)11(16)15-10-4-2-9(3-5-10)12-14-6-7-17-12/h2-8H,13H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyFKAJDJZASGWAJI-MRVPVSSYSA-N
MW247.32 g/mol
LogP2.10
Rot. Bonds3

About (2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide

(2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide (PubChem CID 54995648) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
PubChem CID54995648
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name(2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C12H13N3OS/c1-8(13)11(16)15-10-4-2-9(3-5-10)12-14-6-7-17-12/h2-8H,13H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyFKAJDJZASGWAJI-MRVPVSSYSA-N
XLogP2.10
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3,3-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide
CID 103928998
2-amino-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide
CID 62473394
4-amino-5-oxo-5-[4-(1,3-thiazol-2-yl)anilino]pentanoic acid
CID 64888719
5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide
CID 82852078
2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 54862203
4-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)anilino]butan-2-yl]benzamide
CID 55943190
2-amino-N-(4-pyridin-4-ylphenyl)propanamide
CID 110460098
2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 112764343
ethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate
CID 110289998
2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 54862805
(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 61180169
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 112764357

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide (CID 54995648) is (2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide is C[C@@H](N)C(=O)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of (2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
The InChIKey is FKAJDJZASGWAJI-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8(13)11(16)15-10-4-2-9(3-5-10)12-14-6-7-17-12/h2-8H,13H2,1H3,(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
(2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide has a molecular weight of 247.32 g/mol, XLogP of 2.10, 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-[4-(1,3-thiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 54995648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).