3-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide

C14H17N3O2S — CID 61281880

IUPAC3-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)CCOc2ccc(N)cc2)cs1
InChIInChI=1S/C14H17N3O2S/c1-10-17-12(9-20-10)8-16-14(18)6-7-19-13-4-2-11(15)3-5-13/h2-5,9H,6-8,15H2,1H3,(H,16,18)
InChIKeyKAXXOKDNNCRVPK-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.12
Rot. Bonds6

About 3-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide

3-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 61281880) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID61281880
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)CCOc2ccc(N)cc2)cs1
InChIInChI=1S/C14H17N3O2S/c1-10-17-12(9-20-10)8-16-14(18)6-7-19-13-4-2-11(15)3-5-13/h2-5,9H,6-8,15H2,1H3,(H,16,18)
InChIKeyKAXXOKDNNCRVPK-UHFFFAOYSA-N
XLogP2.12
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-ethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 108737351
3-(4-aminophenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63279966
2-(4-methoxyphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 23612988
methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate
CID 47290724
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 63680112
4-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 108760280
5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid
CID 61282819
3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide
CID 104758179
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
CID 47290668
3-(3-aminophenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 62322289
3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide
CID 61090650
N-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110483632

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide (CID 61281880) is 3-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide is Cc1nc(CNC(=O)CCOc2ccc(N)cc2)cs1.
What is the InChIKey of 3-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is KAXXOKDNNCRVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-17-12(9-20-10)8-16-14(18)6-7-19-13-4-2-11(15)3-5-13/h2-5,9H,6-8,15H2,1H3,(H,16,18).
What are the key properties of 3-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
3-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 291.38 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 61281880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).