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

C18H24N4OS2 — CID 47055938

IUPAC2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nccs1)N1CCN(CCSc2ccccc2)CC1
InChIInChI=1S/C18H24N4OS2/c1-15(17(23)20-18-19-7-13-25-18)22-10-8-21(9-11-22)12-14-24-16-5-3-2-4-6-16/h2-7,13,15H,8-12,14H2,1H3,(H,19,20,23)
InChIKeyPKRJYWALJLYNLC-UHFFFAOYSA-N
MW376.55 g/mol
LogP2.88
Rot. Bonds7

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

2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 47055938) has the molecular formula C18H24N4OS2 and a molecular weight of 376.55 g/mol. Its IUPAC name is 2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID47055938
Molecular FormulaC18H24N4OS2
Molecular Weight376.55 g/mol
Exact Mass376.14
IUPAC Name2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nccs1)N1CCN(CCSc2ccccc2)CC1
InChIInChI=1S/C18H24N4OS2/c1-15(17(23)20-18-19-7-13-25-18)22-10-8-21(9-11-22)12-14-24-16-5-3-2-4-6-16/h2-7,13,15H,8-12,14H2,1H3,(H,19,20,23)
InChIKeyPKRJYWALJLYNLC-UHFFFAOYSA-N
XLogP2.88
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 40932668
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 55541544
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 40932948
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 41312846
(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 97038201
(2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95144394
2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 167773947
2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide
CID 52992847
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide
CID 55432351
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 9259510
(2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 51894730
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 47055938) is 2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide is CC(C(=O)Nc1nccs1)N1CCN(CCSc2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is PKRJYWALJLYNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS2/c1-15(17(23)20-18-19-7-13-25-18)22-10-8-21(9-11-22)12-14-24-16-5-3-2-4-6-16/h2-7,13,15H,8-12,14H2,1H3,(H,19,20,23).
What are the key properties of 2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 376.55 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 47055938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).