3-(3-aminophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide

C14H17N3O2S — CID 61464165

IUPAC3-(3-aminophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
SMILESCc1nc(NC(=O)CCOc2cccc(N)c2)sc1C
InChIInChI=1S/C14H17N3O2S/c1-9-10(2)20-14(16-9)17-13(18)6-7-19-12-5-3-4-11(15)8-12/h3-5,8H,6-7,15H2,1-2H3,(H,16,17,18)
InChIKeyXVRNIYWOBWCOJF-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.75
Rot. Bonds5

About 3-(3-aminophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide

3-(3-aminophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide (PubChem CID 61464165) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
PubChem CID61464165
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-(3-aminophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
SMILESCc1nc(NC(=O)CCOc2cccc(N)c2)sc1C
InChIInChI=1S/C14H17N3O2S/c1-9-10(2)20-14(16-9)17-13(18)6-7-19-12-5-3-4-11(15)8-12/h3-5,8H,6-7,15H2,1-2H3,(H,16,17,18)
InChIKeyXVRNIYWOBWCOJF-UHFFFAOYSA-N
XLogP2.75
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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3-(3-aminophenoxy)-N-(5-methyl-3-pyridinyl)propanamide
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3-(3-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
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3-(3-aminophenoxy)-N-thiophen-3-ylpropanamide
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3-(3-aminophenoxy)-N-(3,5-dichlorophenyl)propanamide
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3-(3-aminophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide
CID 115988957
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3-(3-aminophenoxy)-N-(2,3-dichlorophenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide (CID 61464165) is 3-(3-aminophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide is Cc1nc(NC(=O)CCOc2cccc(N)c2)sc1C.
What is the InChIKey of 3-(3-aminophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is XVRNIYWOBWCOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-10(2)20-14(16-9)17-13(18)6-7-19-12-5-3-4-11(15)8-12/h3-5,8H,6-7,15H2,1-2H3,(H,16,17,18).
What are the key properties of 3-(3-aminophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
3-(3-aminophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 291.38 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 61464165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).