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

C14H17N3OS — CID 4962231

IUPACN-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propyl]acetamide
SMILESCC(=O)NCCCc1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C14H17N3OS/c1-10(18)16-8-2-3-11-4-6-12(7-5-11)13-9-19-14(15)17-13/h4-7,9H,2-3,8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyYOUJDBHDDBOOEG-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.46
Rot. Bonds5

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

N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propyl]acetamide (PubChem CID 4962231) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propyl]acetamide
PubChem CID4962231
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propyl]acetamide
SMILESCC(=O)NCCCc1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C14H17N3OS/c1-10(18)16-8-2-3-11-4-6-12(7-5-11)13-9-19-14(15)17-13/h4-7,9H,2-3,8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyYOUJDBHDDBOOEG-UHFFFAOYSA-N
XLogP2.46
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Amino-4-phenylthiazole
CID 40302
4-Phenyl-N-(2-phenylethyl)-2-thiazolamine
CID 54339
2-Amino-4-(4-biphenylyl)thiazole
CID 76075
2-Amino-4-phenylthiazole hydrobromide monohydrate
CID 40301
4-(4-Methylphenyl)-1,3-thiazol-2(3H)-imine
CID 244066
N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine
CID 2447522
4-(4-Benzylphenyl)thiazol-2-amine
CID 3768902
H3B-120
CID 132355378
4-m-Tolyl-thiazol-2-ylamine
CID 220170
N-(4-(2-Amino-1,3-thiazol-4-yl)phenyl)acetamide
CID 519881
4-(2,4-Dimethylphenyl)-1,3-thiazol-2(3H)-imine
CID 673685
2-Cinnamamido-4-phenylthiazole
CID 690181

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propyl]acetamide?
The IUPAC name of N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propyl]acetamide (CID 4962231) is N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propyl]acetamide.
What is the SMILES notation for N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propyl]acetamide?
The canonical SMILES for N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propyl]acetamide is CC(=O)NCCCc1ccc(-c2csc(N)n2)cc1.
What is the InChIKey of N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propyl]acetamide?
The InChIKey is YOUJDBHDDBOOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10(18)16-8-2-3-11-4-6-12(7-5-11)13-9-19-14(15)17-13/h4-7,9H,2-3,8H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propyl]acetamide?
N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propyl]acetamide has a molecular weight of 275.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propyl]acetamide is sourced from PubChem (CID 4962231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).