N-(3-amino-4-methylpentyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide

C18H24FN3OS — CID 119657415

IUPACN-(3-amino-4-methylpentyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
SMILESCC(C)C(N)CCN(C)C(=O)Cc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C18H24FN3OS/c1-12(2)16(20)7-8-22(3)17(23)10-15-11-24-18(21-15)13-5-4-6-14(19)9-13/h4-6,9,11-12,16H,7-8,10,20H2,1-3H3
InChIKeyAFEFEXKOFFTMHP-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.32
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide

N-(3-amino-4-methylpentyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide (PubChem CID 119657415) has the molecular formula C18H24FN3OS and a molecular weight of 349.48 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
PubChem CID119657415
Molecular FormulaC18H24FN3OS
Molecular Weight349.48 g/mol
Exact Mass349.16
IUPAC NameN-(3-amino-4-methylpentyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
SMILESCC(C)C(N)CCN(C)C(=O)Cc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C18H24FN3OS/c1-12(2)16(20)7-8-22(3)17(23)10-15-11-24-18(21-15)13-5-4-6-14(19)9-13/h4-6,9,11-12,16H,7-8,10,20H2,1-3H3
InChIKeyAFEFEXKOFFTMHP-UHFFFAOYSA-N
XLogP3.32
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 86920323
N-(3-amino-4-methylpentyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide;dihydrochloride
CID 119660170
N-[1-(2,5-difluorophenyl)ethyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 86926512
2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-propylamino]acetic acid
CID 119204753
2-[butan-2-yl-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 119955178
N-(3-amino-4-methylpentyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119660482
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride
CID 119441255
1-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120540371
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2R)-heptan-2-yl]acetamide
CID 36617877
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 110026607
2-methyl-3-[methyl-[2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 122111619
N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide
CID 119659701

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide (CID 119657415) is N-(3-amino-4-methylpentyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide is CC(C)C(N)CCN(C)C(=O)Cc1csc(-c2cccc(F)c2)n1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide?
The InChIKey is AFEFEXKOFFTMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3OS/c1-12(2)16(20)7-8-22(3)17(23)10-15-11-24-18(21-15)13-5-4-6-14(19)9-13/h4-6,9,11-12,16H,7-8,10,20H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide?
N-(3-amino-4-methylpentyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide has a molecular weight of 349.48 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide is sourced from PubChem (CID 119657415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).