2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide

C14H17N3OS — CID 103814839

IUPAC2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCCc1cnc(CNC(=O)Cc2ccc(N)cc2)s1
InChIInChI=1S/C14H17N3OS/c1-2-12-8-17-14(19-12)9-16-13(18)7-10-3-5-11(15)6-4-10/h3-6,8H,2,7,9,15H2,1H3,(H,16,18)
InChIKeyRAQJWKSPSMBPSG-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.15
Rot. Bonds5

About 2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide

2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 103814839) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID103814839
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCCc1cnc(CNC(=O)Cc2ccc(N)cc2)s1
InChIInChI=1S/C14H17N3OS/c1-2-12-8-17-14(19-12)9-16-13(18)7-10-3-5-11(15)6-4-10/h3-6,8H,2,7,9,15H2,1H3,(H,16,18)
InChIKeyRAQJWKSPSMBPSG-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
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

2-(4-aminophenyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119895978
3-(2-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide;dihydrochloride
CID 120613405
2-amino-N-[2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]acetamide
CID 104872602
1-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814833
3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110235
2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106368469
5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685818
1-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 113267621
5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 106703175
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120597319
2-(4-aminophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 62055681
3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
CID 103814857

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide (CID 103814839) is 2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide is CCc1cnc(CNC(=O)Cc2ccc(N)cc2)s1.
What is the InChIKey of 2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is RAQJWKSPSMBPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-12-8-17-14(19-12)9-16-13(18)7-10-3-5-11(15)6-4-10/h3-6,8H,2,7,9,15H2,1H3,(H,16,18).
What are the key properties of 2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide?
2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 275.38 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 103814839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).