4-(3-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide

C14H17N3O2S — CID 155547368

IUPAC4-(3-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2cccc(N)c2)s1
InChIInChI=1S/C14H17N3O2S/c1-10-9-16-14(20-10)17-13(18)6-3-7-19-12-5-2-4-11(15)8-12/h2,4-5,8-9H,3,6-7,15H2,1H3,(H,16,17,18)
InChIKeySOTLMSCXGWXEGA-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.83
Rot. Bonds6

About 4-(3-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide

4-(3-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 155547368) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-(3-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(3-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID155547368
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-(3-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2cccc(N)c2)s1
InChIInChI=1S/C14H17N3O2S/c1-10-9-16-14(20-10)17-13(18)6-3-7-19-12-5-2-4-11(15)8-12/h2,4-5,8-9H,3,6-7,15H2,1H3,(H,16,17,18)
InChIKeySOTLMSCXGWXEGA-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 16068639
N-(3-((2-Chloro-5-thiazolyl)methoxy)phenyl)acetamide
CID 2764068
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 6462201
4-phenoxy-N-(1,3-thiazol-2-yl)butanamide
CID 1570036
2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-(4-methoxyphenyl)acetamide
CID 163368410
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 163368444
4-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 1568895
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 5197182
N-(5-methylthiazol-2-yl)-4-phenoxy-butanamide
CID 2673048
4-(3-methylphenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 8919483
N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956090
N-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956091

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(3-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 155547368) is 4-(3-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(3-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(3-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is Cc1cnc(NC(=O)CCCOc2cccc(N)c2)s1.
What is the InChIKey of 4-(3-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is SOTLMSCXGWXEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-9-16-14(20-10)17-13(18)6-3-7-19-12-5-2-4-11(15)8-12/h2,4-5,8-9H,3,6-7,15H2,1H3,(H,16,17,18).
What are the key properties of 4-(3-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
4-(3-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 291.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 155547368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).