3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]benzamide

C15H19N3OS — CID 119878887

IUPAC3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCC(C)(C)c1csc(CNC(=O)c2cccc(N)c2)n1
InChIInChI=1S/C15H19N3OS/c1-15(2,3)12-9-20-13(18-12)8-17-14(19)10-5-4-6-11(16)7-10/h4-7,9H,8,16H2,1-3H3,(H,17,19)
InChIKeyOWARQNJYCAQTQZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.95
Rot. Bonds3

About 3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]benzamide

3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 119878887) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]benzamide
PubChem CID119878887
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCC(C)(C)c1csc(CNC(=O)c2cccc(N)c2)n1
InChIInChI=1S/C15H19N3OS/c1-15(2,3)12-9-20-13(18-12)8-17-14(19)10-5-4-6-11(16)7-10/h4-7,9H,8,16H2,1-3H3,(H,17,19)
InChIKeyOWARQNJYCAQTQZ-UHFFFAOYSA-N
XLogP2.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 122572146
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide
CID 118769382
3-amino-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide
CID 119875329
2-[[(3-aminobenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629183
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 68553109
2-[[(3-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380639
3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide
CID 119763189
2-[[(3-hydroxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381423
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,2-dimethylpyrrole-3-carboxamide
CID 122562326
4-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanamide
CID 119878910
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 46977755
3-[(3-aminobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 115427957

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of 3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]benzamide (CID 119878887) is 3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]benzamide is CC(C)(C)c1csc(CNC(=O)c2cccc(N)c2)n1.
What is the InChIKey of 3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is OWARQNJYCAQTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-15(2,3)12-9-20-13(18-12)8-17-14(19)10-5-4-6-11(16)7-10/h4-7,9H,8,16H2,1-3H3,(H,17,19).
What are the key properties of 3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]benzamide?
3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 289.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 119878887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).