N-(4-ethylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide

C18H24N4OS — CID 51311966

IUPACN-(4-ethylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
SMILESCCc1ccc(NC(=O)C(C)N2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C18H24N4OS/c1-3-15-4-6-16(7-5-15)20-17(23)14(2)21-9-11-22(12-10-21)18-19-8-13-24-18/h4-8,13-14H,3,9-12H2,1-2H3,(H,20,23)
InChIKeyGWNJNNDJTJLIEW-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.85
Rot. Bonds5

About N-(4-ethylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide

N-(4-ethylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide (PubChem CID 51311966) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
PubChem CID51311966
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN-(4-ethylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
SMILESCCc1ccc(NC(=O)C(C)N2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C18H24N4OS/c1-3-15-4-6-16(7-5-15)20-17(23)14(2)21-9-11-22(12-10-21)18-19-8-13-24-18/h4-8,13-14H,3,9-12H2,1-2H3,(H,20,23)
InChIKeyGWNJNNDJTJLIEW-UHFFFAOYSA-N
XLogP2.85
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-sulfamoylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 55499702
(2S)-N-cycloheptyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 30138516
N-prop-2-ynyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 86919342
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 55499698
(2R)-N-tert-butyl-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 94796371
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 18136601
(2S)-N-(2-chlorophenyl)-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 52507095
(2R)-N-(2,4-dimethylphenyl)-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 52503740
2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethylphenyl)propanamide
CID 17446120
N-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propanamide
CID 46527680
N-(4-ethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propanamide
CID 126812624
N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 18078446

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-(4-ethylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide (CID 51311966) is N-(4-ethylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide is CCc1ccc(NC(=O)C(C)N2CCN(c3nccs3)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The InChIKey is GWNJNNDJTJLIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-3-15-4-6-16(7-5-15)20-17(23)14(2)21-9-11-22(12-10-21)18-19-8-13-24-18/h4-8,13-14H,3,9-12H2,1-2H3,(H,20,23).
What are the key properties of N-(4-ethylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
N-(4-ethylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide has a molecular weight of 344.48 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 51311966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).