3-(4-aminophenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide

C14H17N3O2S — CID 63279966

IUPAC3-(4-aminophenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1ncsc1CNC(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C14H17N3O2S/c1-10-13(20-9-17-10)8-16-14(18)6-7-19-12-4-2-11(15)3-5-12/h2-5,9H,6-8,15H2,1H3,(H,16,18)
InChIKeyVOQJZVNXDHTIHP-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.12
Rot. Bonds6

About 3-(4-aminophenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide

3-(4-aminophenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 63279966) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID63279966
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-(4-aminophenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1ncsc1CNC(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C14H17N3O2S/c1-10-13(20-9-17-10)8-16-14(18)6-7-19-12-4-2-11(15)3-5-12/h2-5,9H,6-8,15H2,1H3,(H,16,18)
InChIKeyVOQJZVNXDHTIHP-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'}

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Related Compounds

3-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 61281880
4-amino-N-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]benzamide
CID 63280729
4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 63280743
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63681267
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
5-amino-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 82012439
3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide
CID 104758179
2-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]acetic acid
CID 63281019
3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide
CID 61090650
2-(3-amino-1,2,4-triazol-1-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63280307
2-(4-aminophenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 78985015
methyl 3-[3-(4-aminophenoxy)propanoylamino]-2-hydroxypropanoate
CID 107211638

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide (CID 63279966) is 3-(4-aminophenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide is Cc1ncsc1CNC(=O)CCOc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is VOQJZVNXDHTIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-13(20-9-17-10)8-16-14(18)6-7-19-12-4-2-11(15)3-5-12/h2-5,9H,6-8,15H2,1H3,(H,16,18).
What are the key properties of 3-(4-aminophenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide?
3-(4-aminophenoxy)-N-[(4-methyl-1,3-thiazol-5-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-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 63279966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).