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

C19H25FN4O2S — CID 120757037

IUPACN-[4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(C)=O)c1nc(CN2CCNCC2c2cccc(F)c2)cs1
InChIInChI=1S/C19H25FN4O2S/c1-14(25)24(8-9-26-2)19-22-17(13-27-19)12-23-7-6-21-11-18(23)15-4-3-5-16(20)10-15/h3-5,10,13,18,21H,6-9,11-12H2,1-2H3
InChIKeyOSYFGMCJBKWMJM-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.43
Rot. Bonds7

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

N-[4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 120757037) has the molecular formula C19H25FN4O2S and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-[4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methoxyethyl)acetamide
PubChem CID120757037
Molecular FormulaC19H25FN4O2S
Molecular Weight392.50 g/mol
Exact Mass392.17
IUPAC NameN-[4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(C)=O)c1nc(CN2CCNCC2c2cccc(F)c2)cs1
InChIInChI=1S/C19H25FN4O2S/c1-14(25)24(8-9-26-2)19-22-17(13-27-19)12-23-7-6-21-11-18(23)15-4-3-5-16(20)10-15/h3-5,10,13,18,21H,6-9,11-12H2,1-2H3
InChIKeyOSYFGMCJBKWMJM-UHFFFAOYSA-N
XLogP2.43
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120768598
2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120768597
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 120846541
2-(3-fluorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120768485
2-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)piperazine-1-sulfonamide;hydrochloride
CID 120765000
methyl 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]furan-2-carboxylate
CID 120768634
[2-(3-fluorophenyl)piperazin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 120737603
N-cyclohexyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide
CID 120756349
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol;hydrochloride
CID 120768575
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 120756803
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 120846511
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 120736388

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-[4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methoxyethyl)acetamide (CID 120757037) is N-[4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-[4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-[4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methoxyethyl)acetamide is COCCN(C(C)=O)c1nc(CN2CCNCC2c2cccc(F)c2)cs1.
What is the InChIKey of N-[4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is OSYFGMCJBKWMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2S/c1-14(25)24(8-9-26-2)19-22-17(13-27-19)12-23-7-6-21-11-18(23)15-4-3-5-16(20)10-15/h3-5,10,13,18,21H,6-9,11-12H2,1-2H3.
What are the key properties of N-[4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methoxyethyl)acetamide?
N-[4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 392.50 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 120757037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).