2-[4-(3-aminophenyl)-2-oxo-1,3-thiazol-3-yl]-N-(2-methylpropyl)acetamide

C15H19N3O2S — CID 82225372

IUPAC2-[4-(3-aminophenyl)-2-oxo-1,3-thiazol-3-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1c(-c2cccc(N)c2)csc1=O
InChIInChI=1S/C15H19N3O2S/c1-10(2)7-17-14(19)8-18-13(9-21-15(18)20)11-4-3-5-12(16)6-11/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,19)
InChIKeyXTMJANSRRXOGFX-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.93
Rot. Bonds5

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

2-[4-(3-aminophenyl)-2-oxo-1,3-thiazol-3-yl]-N-(2-methylpropyl)acetamide (PubChem CID 82225372) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[4-(3-aminophenyl)-2-oxo-1,3-thiazol-3-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-aminophenyl)-2-oxo-1,3-thiazol-3-yl]-N-(2-methylpropyl)acetamide
PubChem CID82225372
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-[4-(3-aminophenyl)-2-oxo-1,3-thiazol-3-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1c(-c2cccc(N)c2)csc1=O
InChIInChI=1S/C15H19N3O2S/c1-10(2)7-17-14(19)8-18-13(9-21-15(18)20)11-4-3-5-12(16)6-11/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,19)
InChIKeyXTMJANSRRXOGFX-UHFFFAOYSA-N
XLogP1.93
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.93
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

2-[4-(3-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]-N-[(2R)-2-phenylbutyl]acetamide
CID 97316685
4-(3-aminophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one
CID 94968746
4-(3-aminophenyl)-3-butyl-1,3-thiazol-2-one
CID 82028048
N-(4-ethylphenyl)-2-[4-(3-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]acetamide
CID 75463858
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methylpropyl)acetamide
CID 43447893
2-[4-(3-methoxyphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 16768004
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914378
2-(3-amino-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methylpropyl)acetamide
CID 97181469
4-(3-aminophenyl)-N-(2-methylpropyl)butanamide
CID 94262385
[2-(2-methylpropylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 16560654
2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide
CID 23410675
2-[4-(3-aminophenyl)pyrazol-1-yl]-N-(3-methylbutyl)acetamide
CID 63338592

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminophenyl)-2-oxo-1,3-thiazol-3-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-(3-aminophenyl)-2-oxo-1,3-thiazol-3-yl]-N-(2-methylpropyl)acetamide (CID 82225372) is 2-[4-(3-aminophenyl)-2-oxo-1,3-thiazol-3-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-(3-aminophenyl)-2-oxo-1,3-thiazol-3-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-(3-aminophenyl)-2-oxo-1,3-thiazol-3-yl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)Cn1c(-c2cccc(N)c2)csc1=O.
What is the InChIKey of 2-[4-(3-aminophenyl)-2-oxo-1,3-thiazol-3-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is XTMJANSRRXOGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10(2)7-17-14(19)8-18-13(9-21-15(18)20)11-4-3-5-12(16)6-11/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[4-(3-aminophenyl)-2-oxo-1,3-thiazol-3-yl]-N-(2-methylpropyl)acetamide?
2-[4-(3-aminophenyl)-2-oxo-1,3-thiazol-3-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 305.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminophenyl)-2-oxo-1,3-thiazol-3-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 82225372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).