N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide

C17H22FN3OS — CID 110359516

IUPACN-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide
SMILESCCN(CC)Cc1csc(CNC(=O)Cc2ccc(F)cc2)n1
InChIInChI=1S/C17H22FN3OS/c1-3-21(4-2)11-15-12-23-17(20-15)10-19-16(22)9-13-5-7-14(18)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,22)
InChIKeyWULFAKDKYKHUEN-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.98
Rot. Bonds8

About N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide

N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide (PubChem CID 110359516) has the molecular formula C17H22FN3OS and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide
PubChem CID110359516
Molecular FormulaC17H22FN3OS
Molecular Weight335.45 g/mol
Exact Mass335.15
IUPAC NameN-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide
SMILESCCN(CC)Cc1csc(CNC(=O)Cc2ccc(F)cc2)n1
InChIInChI=1S/C17H22FN3OS/c1-3-21(4-2)11-15-12-23-17(20-15)10-19-16(22)9-13-5-7-14(18)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,22)
InChIKeyWULFAKDKYKHUEN-UHFFFAOYSA-N
XLogP2.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)butanamide
CID 110355301
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-(4-methylphenyl)propanamide
CID 110357243
3-(1,3-benzodioxol-5-yl)-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]propanamide
CID 110426511
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-5-(4-methoxyphenyl)pentanamide
CID 110618773
2-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359527
ethyl N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 110359539
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 43320091
3-bromo-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359502
2,4-dichloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359542
2-(4-fluorophenyl)-N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 110393662
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110613081
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 110351804

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide (CID 110359516) is N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide is CCN(CC)Cc1csc(CNC(=O)Cc2ccc(F)cc2)n1.
What is the InChIKey of N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is WULFAKDKYKHUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3OS/c1-3-21(4-2)11-15-12-23-17(20-15)10-19-16(22)9-13-5-7-14(18)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,22).
What are the key properties of N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide?
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 335.45 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 110359516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).