N-ethyl-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide

C18H23FN4OS — CID 42851037

IUPACN-ethyl-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCCN(C)C(=O)c1csc(CN2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C18H23FN4OS/c1-3-21(2)18(24)15-13-25-17(20-15)12-22-8-10-23(11-9-22)16-7-5-4-6-14(16)19/h4-7,13H,3,8-12H2,1-2H3
InChIKeyWTTVNVKQQBTXLA-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.70
Rot. Bonds5

About N-ethyl-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide

N-ethyl-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 42851037) has the molecular formula C18H23FN4OS and a molecular weight of 362.47 g/mol. Its IUPAC name is N-ethyl-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID42851037
Molecular FormulaC18H23FN4OS
Molecular Weight362.47 g/mol
Exact Mass362.16
IUPAC NameN-ethyl-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCCN(C)C(=O)c1csc(CN2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C18H23FN4OS/c1-3-21(2)18(24)15-13-25-17(20-15)12-22-8-10-23(11-9-22)16-7-5-4-6-14(16)19/h4-7,13H,3,8-12H2,1-2H3
InChIKeyWTTVNVKQQBTXLA-UHFFFAOYSA-N
XLogP2.70
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 56719764
2-(aminomethyl)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1,3-thiazole-4-carboxamide
CID 129414917
N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride
CID 53346983
[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-propylpiperazin-1-yl)methanone
CID 53161140
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 154828993
2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 80568894
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 45211746
2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 110386746
N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 109216141
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-[(3S)-oxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 42196030
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 71840289
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 46043730

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 42851037) is N-ethyl-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide is CCN(C)C(=O)c1csc(CN2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of N-ethyl-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is WTTVNVKQQBTXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4OS/c1-3-21(2)18(24)15-13-25-17(20-15)12-22-8-10-23(11-9-22)16-7-5-4-6-14(16)19/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of N-ethyl-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide?
N-ethyl-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42851037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).