N-[2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethyl]-4-methylbenzamide

C15H19N3OS — CID 62961907

IUPACN-[2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethyl]-4-methylbenzamide
SMILESCCc1csc(NCCNC(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C15H19N3OS/c1-3-13-10-20-15(18-13)17-9-8-16-14(19)12-6-4-11(2)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyOGMHZUCDZRXOLG-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.86
Rot. Bonds6

About N-[2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethyl]-4-methylbenzamide

N-[2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethyl]-4-methylbenzamide (PubChem CID 62961907) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethyl]-4-methylbenzamide
PubChem CID62961907
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethyl]-4-methylbenzamide
SMILESCCc1csc(NCCNC(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C15H19N3OS/c1-3-13-10-20-15(18-13)17-9-8-16-14(19)12-6-4-11(2)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyOGMHZUCDZRXOLG-UHFFFAOYSA-N
XLogP2.86
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432
2-amino-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 62788957
3-[(4-ethyl-1,3-thiazol-2-yl)amino]-N-methylpropanamide
CID 62962639
N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-4-methylbenzamide
CID 60964745
4-hydroxy-N-[2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide
CID 133371352
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
4-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]ethyl]benzamide
CID 60965045
5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide
CID 60964591
N-[2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]-4-methylbenzamide
CID 133457957
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728056
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethyl]-4-methylbenzamide (CID 62961907) is N-[2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethyl]-4-methylbenzamide is CCc1csc(NCCNC(=O)c2ccc(C)cc2)n1.
What is the InChIKey of N-[2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethyl]-4-methylbenzamide?
The InChIKey is OGMHZUCDZRXOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-13-10-20-15(18-13)17-9-8-16-14(19)12-6-4-11(2)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethyl]-4-methylbenzamide?
N-[2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethyl]-4-methylbenzamide has a molecular weight of 289.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 62961907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).