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

C18H24N4OS — CID 11493939

IUPACN-[1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(CN2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C18H24N4OS/c1-14(20-15(2)23)17-5-3-16(4-6-17)13-21-8-10-22(11-9-21)18-19-7-12-24-18/h3-7,12,14H,8-11,13H2,1-2H3,(H,20,23)
InChIKeyUZEJOACJYMQGMY-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.66
Rot. Bonds5

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

N-[1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide (PubChem CID 11493939) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide
PubChem CID11493939
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN-[1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(CN2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C18H24N4OS/c1-14(20-15(2)23)17-5-3-16(4-6-17)13-21-8-10-22(11-9-21)18-19-7-12-24-18/h3-7,12,14H,8-11,13H2,1-2H3,(H,20,23)
InChIKeyUZEJOACJYMQGMY-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide (CID 11493939) is N-[1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide is CC(=O)NC(C)c1ccc(CN2CCN(c3nccs3)CC2)cc1.
What is the InChIKey of N-[1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide?
The InChIKey is UZEJOACJYMQGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-14(20-15(2)23)17-5-3-16(4-6-17)13-21-8-10-22(11-9-21)18-19-7-12-24-18/h3-7,12,14H,8-11,13H2,1-2H3,(H,20,23).
What are the key properties of N-[1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide?
N-[1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide has a molecular weight of 344.48 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 11493939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).