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

C25H30N4OS — CID 42931498

IUPACN-benzyl-N-(2-phenylethyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
SMILESCC(C(=O)N(CCc1ccccc1)Cc1ccccc1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C25H30N4OS/c1-21(27-15-17-28(18-16-27)25-26-13-19-31-25)24(30)29(20-23-10-6-3-7-11-23)14-12-22-8-4-2-5-9-22/h2-11,13,19,21H,12,14-18,20H2,1H3
InChIKeyUQLBQMLXTBXJJZ-UHFFFAOYSA-N
MW434.61 g/mol
LogP3.93
Rot. Bonds8

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

N-benzyl-N-(2-phenylethyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide (PubChem CID 42931498) has the molecular formula C25H30N4OS and a molecular weight of 434.61 g/mol. Its IUPAC name is N-benzyl-N-(2-phenylethyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-(2-phenylethyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
PubChem CID42931498
Molecular FormulaC25H30N4OS
Molecular Weight434.61 g/mol
Exact Mass434.21
IUPAC NameN-benzyl-N-(2-phenylethyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
SMILESCC(C(=O)N(CCc1ccccc1)Cc1ccccc1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C25H30N4OS/c1-21(27-15-17-28(18-16-27)25-26-13-19-31-25)24(30)29(20-23-10-6-3-7-11-23)14-12-22-8-4-2-5-9-22/h2-11,13,19,21H,12,14-18,20H2,1H3
InChIKeyUQLBQMLXTBXJJZ-UHFFFAOYSA-N
XLogP3.93
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.61
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 18136601
N-benzyl-N-ethyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 47706614
N-(4-ethylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 51311966
N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 86919347
(2R)-2-amino-N-benzyl-N-(2-phenylethyl)propanamide
CID 78973061
N-benzyl-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide
CID 42858943
4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butanamide
CID 90597351
N-benzyl-N-ethyl-2-(4-hydroxypiperidin-1-yl)propanamide
CID 110877676
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanoic acid
CID 83042107
(2S)-N-cycloheptyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 30138516
(2R)-N-tert-butyl-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 94796371
(2S)-N-(2-chlorophenyl)-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 52507095

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-phenylethyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-benzyl-N-(2-phenylethyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide (CID 42931498) is N-benzyl-N-(2-phenylethyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-benzyl-N-(2-phenylethyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-benzyl-N-(2-phenylethyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide is CC(C(=O)N(CCc1ccccc1)Cc1ccccc1)N1CCN(c2nccs2)CC1.
What is the InChIKey of N-benzyl-N-(2-phenylethyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The InChIKey is UQLBQMLXTBXJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4OS/c1-21(27-15-17-28(18-16-27)25-26-13-19-31-25)24(30)29(20-23-10-6-3-7-11-23)14-12-22-8-4-2-5-9-22/h2-11,13,19,21H,12,14-18,20H2,1H3.
What are the key properties of N-benzyl-N-(2-phenylethyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
N-benzyl-N-(2-phenylethyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide has a molecular weight of 434.61 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-phenylethyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 42931498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).