3-(2-aminophenyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylpropanamide

C18H25N3OS — CID 120613336

IUPAC3-(2-aminophenyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylpropanamide
SMILESCCc1nc(C)c(C(C)N(C)C(=O)CCc2ccccc2N)s1
InChIInChI=1S/C18H25N3OS/c1-5-16-20-12(2)18(23-16)13(3)21(4)17(22)11-10-14-8-6-7-9-15(14)19/h6-9,13H,5,10-11,19H2,1-4H3
InChIKeyLEDYFCSRIHVLEI-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.75
Rot. Bonds6

About 3-(2-aminophenyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylpropanamide

3-(2-aminophenyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylpropanamide (PubChem CID 120613336) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylpropanamide
PubChem CID120613336
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name3-(2-aminophenyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylpropanamide
SMILESCCc1nc(C)c(C(C)N(C)C(=O)CCc2ccccc2N)s1
InChIInChI=1S/C18H25N3OS/c1-5-16-20-12(2)18(23-16)13(3)21(4)17(22)11-10-14-8-6-7-9-15(14)19/h6-9,13H,5,10-11,19H2,1-4H3
InChIKeyLEDYFCSRIHVLEI-UHFFFAOYSA-N
XLogP3.75
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide
CID 119892961
3-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride
CID 120609150
2-(1,2-benzoxazol-3-yl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylacetamide
CID 122142226
N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 75378545
3-(2-aminophenyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 120608425
4-amino-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide
CID 119893005
3-(2-aminophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylpropanamide
CID 120608860
1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 126787533
3-(2-aminophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 120608510
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpropanamide;dihydrochloride
CID 119881817
3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide
CID 43309262
3-(2-aminophenyl)-N-methyl-N-(1-phenylbutan-2-yl)propanamide
CID 120611344

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylpropanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylpropanamide (CID 120613336) is 3-(2-aminophenyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylpropanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylpropanamide is CCc1nc(C)c(C(C)N(C)C(=O)CCc2ccccc2N)s1.
What is the InChIKey of 3-(2-aminophenyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylpropanamide?
The InChIKey is LEDYFCSRIHVLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-5-16-20-12(2)18(23-16)13(3)21(4)17(22)11-10-14-8-6-7-9-15(14)19/h6-9,13H,5,10-11,19H2,1-4H3.
What are the key properties of 3-(2-aminophenyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylpropanamide?
3-(2-aminophenyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylpropanamide has a molecular weight of 331.49 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 120613336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).