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

C15H19N3O2S — CID 106956080

IUPAC5-amino-2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]benzamide
SMILESCC(C)(C)c1csc(COc2ccc(N)cc2C(N)=O)n1
InChIInChI=1S/C15H19N3O2S/c1-15(2,3)12-8-21-13(18-12)7-20-11-5-4-9(16)6-10(11)14(17)19/h4-6,8H,7,16H2,1-3H3,(H2,17,19)
InChIKeyLNLJCLQKLAAXNE-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.70
Rot. Bonds4

About 5-amino-2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]benzamide

5-amino-2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]benzamide (PubChem CID 106956080) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-amino-2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]benzamide.

Molecular Properties

Compound Name5-amino-2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]benzamide
PubChem CID106956080
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name5-amino-2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]benzamide
SMILESCC(C)(C)c1csc(COc2ccc(N)cc2C(N)=O)n1
InChIInChI=1S/C15H19N3O2S/c1-15(2,3)12-8-21-13(18-12)7-20-11-5-4-9(16)6-10(11)14(17)19/h4-6,8H,7,16H2,1-3H3,(H2,17,19)
InChIKeyLNLJCLQKLAAXNE-UHFFFAOYSA-N
XLogP2.70
TPSA91.23 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 ≤ 52.70
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

1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]ethanone
CID 115687868
5-amino-2-[(2,5-dimethylphenyl)methoxy]benzamide
CID 106956236
2-[[2-(bromomethyl)-4-fluorophenoxy]methyl]-4-tert-butyl-1,3-thiazole
CID 107699041
5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzamide
CID 106956246
5-amino-2-butoxybenzamide
CID 61305277
5-amino-2-(2,2,2-trifluoroethoxy)benzamide
CID 61312859
5-amino-2-(3-methylsulfonylpropoxy)benzamide
CID 106956095
(4-tert-butyl-1,3-thiazol-2-yl)methyl 3-amino-2-chlorobenzoate
CID 115936143
5-amino-2-(3-amino-3-oxopropoxy)benzamide
CID 106956094
5-amino-2-(2-methoxypropoxy)benzamide
CID 106956252
3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]benzamide
CID 119878887
2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol
CID 103844460

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]benzamide?
The IUPAC name of 5-amino-2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]benzamide (CID 106956080) is 5-amino-2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]benzamide.
What is the SMILES notation for 5-amino-2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]benzamide?
The canonical SMILES for 5-amino-2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]benzamide is CC(C)(C)c1csc(COc2ccc(N)cc2C(N)=O)n1.
What is the InChIKey of 5-amino-2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]benzamide?
The InChIKey is LNLJCLQKLAAXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-15(2,3)12-8-21-13(18-12)7-20-11-5-4-9(16)6-10(11)14(17)19/h4-6,8H,7,16H2,1-3H3,(H2,17,19).
What are the key properties of 5-amino-2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]benzamide?
5-amino-2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]benzamide has a molecular weight of 305.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]benzamide is sourced from PubChem (CID 106956080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).