N-[2-(4-aminophenyl)ethyl]-2-(1,3-thiazol-4-yl)acetamide

C13H15N3OS — CID 110483325

IUPACN-[2-(4-aminophenyl)ethyl]-2-(1,3-thiazol-4-yl)acetamide
SMILESNc1ccc(CCNC(=O)Cc2cscn2)cc1
InChIInChI=1S/C13H15N3OS/c14-11-3-1-10(2-4-11)5-6-15-13(17)7-12-8-18-9-16-12/h1-4,8-9H,5-7,14H2,(H,15,17)
InChIKeyUUMLWJNIWFUJJZ-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.63
Rot. Bonds5

About N-[2-(4-aminophenyl)ethyl]-2-(1,3-thiazol-4-yl)acetamide

N-[2-(4-aminophenyl)ethyl]-2-(1,3-thiazol-4-yl)acetamide (PubChem CID 110483325) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-(1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-(1,3-thiazol-4-yl)acetamide
PubChem CID110483325
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-(1,3-thiazol-4-yl)acetamide
SMILESNc1ccc(CCNC(=O)Cc2cscn2)cc1
InChIInChI=1S/C13H15N3OS/c14-11-3-1-10(2-4-11)5-6-15-13(17)7-12-8-18-9-16-12/h1-4,8-9H,5-7,14H2,(H,15,17)
InChIKeyUUMLWJNIWFUJJZ-UHFFFAOYSA-N
XLogP1.63
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]aniline
CID 63825390
N-[2-(4-aminophenyl)ethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 119549060
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 62798218
N-ethyl-2-(1,3-thiazol-4-yl)acetamide
CID 110462780
2-(1,3-thiazol-4-yl)acetohydrazide
CID 53297918
4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63831646
3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110624727
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 110624728
3-[2-(4-aminophenyl)ethylamino]-3-oxopropanoic acid
CID 110480212
2-(1,3-thiazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 155969654
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
N-[2-(4-aminophenyl)ethyl]-2-(2-chlorophenyl)acetamide
CID 61219066

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(1,3-thiazol-4-yl)acetamide (CID 110483325) is N-[2-(4-aminophenyl)ethyl]-2-(1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-(1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-(1,3-thiazol-4-yl)acetamide is Nc1ccc(CCNC(=O)Cc2cscn2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-(1,3-thiazol-4-yl)acetamide?
The InChIKey is UUMLWJNIWFUJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c14-11-3-1-10(2-4-11)5-6-15-13(17)7-12-8-18-9-16-12/h1-4,8-9H,5-7,14H2,(H,15,17).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-(1,3-thiazol-4-yl)acetamide?
N-[2-(4-aminophenyl)ethyl]-2-(1,3-thiazol-4-yl)acetamide has a molecular weight of 261.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-(1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 110483325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).