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

C12H13N3OS — CID 896768

IUPACN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C12H13N3OS/c1-2-11(16)14-9-5-3-8(4-6-9)10-7-17-12(13)15-10/h3-7H,2H2,1H3,(H2,13,15)(H,14,16)
InChIKeyGEEFIJBVKKXOLU-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.74
Rot. Bonds3

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

N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide (PubChem CID 896768) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide
PubChem CID896768
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C12H13N3OS/c1-2-11(16)14-9-5-3-8(4-6-9)10-7-17-12(13)15-10/h3-7H,2H2,1H3,(H2,13,15)(H,14,16)
InChIKeyGEEFIJBVKKXOLU-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide
CID 28856284
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(heptan-4-ylamino)propanamide
CID 5272480
3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide
CID 17444226
N-[4-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide
CID 9422708
N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
CID 156772101
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide
CID 28865127
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride
CID 42914899
N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]propanamide
CID 9173882
2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-phenylacetamide
CID 28856207
N-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide
CID 3891823
N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 122159689
N-[4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide
CID 84567446

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide?
The IUPAC name of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide (CID 896768) is N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide.
What is the SMILES notation for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide?
The canonical SMILES for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide is CCC(=O)Nc1ccc(-c2csc(N)n2)cc1.
What is the InChIKey of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide?
The InChIKey is GEEFIJBVKKXOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-2-11(16)14-9-5-3-8(4-6-9)10-7-17-12(13)15-10/h3-7H,2H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide?
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide has a molecular weight of 247.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 896768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).