5-amino-2,4-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide

C15H19N3OS — CID 102705874

IUPAC5-amino-2,4-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1cnc(C(C)NC(=O)c2cc(N)c(C)cc2C)s1
InChIInChI=1S/C15H19N3OS/c1-8-5-9(2)13(16)6-12(8)14(19)18-11(4)15-17-7-10(3)20-15/h5-7,11H,16H2,1-4H3,(H,18,19)
InChIKeyOJVWMGVSKAFGMK-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.14
Rot. Bonds3

About 5-amino-2,4-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide

5-amino-2,4-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 102705874) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 5-amino-2,4-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-amino-2,4-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID102705874
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name5-amino-2,4-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1cnc(C(C)NC(=O)c2cc(N)c(C)cc2C)s1
InChIInChI=1S/C15H19N3OS/c1-8-5-9(2)13(16)6-12(8)14(19)18-11(4)15-17-7-10(3)20-15/h5-7,11H,16H2,1-4H3,(H,18,19)
InChIKeyOJVWMGVSKAFGMK-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
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-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702022
5-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 112697622
4-amino-2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 115741114
2-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112704951
5-amino-2,3-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 107185774
5-amino-2,4-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 102704840
4-amino-5-chloro-2-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 119898137
3,5-dibromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103908469
2-hydroxy-4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 115681589
2-bromo-3-fluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 113387325
2,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 113251802
2-amino-5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 113387502

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 5-amino-2,4-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide (CID 102705874) is 5-amino-2,4-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 5-amino-2,4-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 5-amino-2,4-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide is Cc1cnc(C(C)NC(=O)c2cc(N)c(C)cc2C)s1.
What is the InChIKey of 5-amino-2,4-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is OJVWMGVSKAFGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-8-5-9(2)13(16)6-12(8)14(19)18-11(4)15-17-7-10(3)20-15/h5-7,11H,16H2,1-4H3,(H,18,19).
What are the key properties of 5-amino-2,4-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
5-amino-2,4-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 289.40 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 102705874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).