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

C14H17N3O2S — CID 155531584

IUPAC4-(4-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2ccc(N)cc2)s1
InChIInChI=1S/C14H17N3O2S/c1-10-9-16-14(20-10)17-13(18)3-2-8-19-12-6-4-11(15)5-7-12/h4-7,9H,2-3,8,15H2,1H3,(H,16,17,18)
InChIKeyWTMSPNDVXDSSGO-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.83
Rot. Bonds6

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

4-(4-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 155531584) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-(4-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID155531584
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-(4-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2ccc(N)cc2)s1
InChIInChI=1S/C14H17N3O2S/c1-10-9-16-14(20-10)17-13(18)3-2-8-19-12-6-4-11(15)5-7-12/h4-7,9H,2-3,8,15H2,1H3,(H,16,17,18)
InChIKeyWTMSPNDVXDSSGO-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyphenoxy)-N-1,3-thiazol-2-ylbutanamide
CID 1631626
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
(5-Bromo-thiazol-2-yl)-(4-methoxy-phenyl)-amine
CID 12348632
5-bromo-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
CID 16068854
N-{4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl}acetamide
CID 1484583
2-((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide
CID 2155336
4-(4-methoxyphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
CID 2578872
N-(5-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 2673081
1-(4-methoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2947457
N-Cyclopentylcarbamoylmethyl-N-(4-ethoxy-phenyl)-N'-thiazol-2-yl-succinamide
CID 3205396

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(4-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 155531584) is 4-(4-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is Cc1cnc(NC(=O)CCCOc2ccc(N)cc2)s1.
What is the InChIKey of 4-(4-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is WTMSPNDVXDSSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-9-16-14(20-10)17-13(18)3-2-8-19-12-6-4-11(15)5-7-12/h4-7,9H,2-3,8,15H2,1H3,(H,16,17,18).
What are the key properties of 4-(4-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
4-(4-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-(4-aminophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 155531584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).