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

C14H17N3OS — CID 63238856

IUPAC2-(2-aminophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCc1csc(CCNC(=O)Cc2ccccc2N)n1
InChIInChI=1S/C14H17N3OS/c1-10-9-19-14(17-10)6-7-16-13(18)8-11-4-2-3-5-12(11)15/h2-5,9H,6-8,15H2,1H3,(H,16,18)
InChIKeyZLJSHUPMSZMFJT-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.94
Rot. Bonds5

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

2-(2-aminophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 63238856) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID63238856
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-(2-aminophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCc1csc(CCNC(=O)Cc2ccccc2N)n1
InChIInChI=1S/C14H17N3OS/c1-10-9-19-14(17-10)6-7-16-13(18)8-11-4-2-3-5-12(11)15/h2-5,9H,6-8,15H2,1H3,(H,16,18)
InChIKeyZLJSHUPMSZMFJT-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110484612
3-(2-aminophenoxy)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 63239032
2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82472251
2-amino-6-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238942
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 63240016
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylacetamide
CID 55175614
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenoxyacetamide
CID 39071979
2-(furan-2-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110484644
N-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110388443
2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 62735021
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63244971
2-(4-aminophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]acetamide;dihydrochloride
CID 119875296

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide (CID 63238856) is 2-(2-aminophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide is Cc1csc(CCNC(=O)Cc2ccccc2N)n1.
What is the InChIKey of 2-(2-aminophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is ZLJSHUPMSZMFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-9-19-14(17-10)6-7-16-13(18)8-11-4-2-3-5-12(11)15/h2-5,9H,6-8,15H2,1H3,(H,16,18).
What are the key properties of 2-(2-aminophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide?
2-(2-aminophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 275.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 63238856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).