N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C15H19N3O2S — CID 115949174

IUPACN-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1nc(-c2ccc(N)cc2)cs1
InChIInChI=1S/C15H19N3O2S/c1-15(2,3)20-8-13(19)18-14-17-12(9-21-14)10-4-6-11(16)7-5-10/h4-7,9H,8,16H2,1-3H3,(H,17,18,19)
InChIKeyYBCVOLIQFJYWFD-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.15
Rot. Bonds4

About N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 115949174) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID115949174
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1nc(-c2ccc(N)cc2)cs1
InChIInChI=1S/C15H19N3O2S/c1-15(2,3)20-8-13(19)18-14-17-12(9-21-14)10-4-6-11(16)7-5-10/h4-7,9H,8,16H2,1-3H3,(H,17,18,19)
InChIKeyYBCVOLIQFJYWFD-UHFFFAOYSA-N
XLogP3.15
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.15
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

N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 28861376
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-methoxyacetamide
CID 51185945
3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1-dimethylurea
CID 79153497
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 28861417
tert-butyl N-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139371491
N,N'-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]hexanediamide
CID 3376652
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 134812941
2-(4-aminophenyl)-2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110451855
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] butanoate
CID 2629045
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] nitrate
CID 155808446
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 4232837
2-(4-tert-butylphenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178615

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 115949174) is N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)Nc1nc(-c2ccc(N)cc2)cs1.
What is the InChIKey of N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is YBCVOLIQFJYWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-15(2,3)20-8-13(19)18-14-17-12(9-21-14)10-4-6-11(16)7-5-10/h4-7,9H,8,16H2,1-3H3,(H,17,18,19).
What are the key properties of N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 305.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 115949174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).