N,N-dimethyl-2-[4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide

C17H24N4O2S — CID 36935480

IUPACN,N-dimethyl-2-[4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide
SMILESCc1ccc(-c2nc(CN3CCN(CC(=O)N(C)C)CC3)cs2)o1
InChIInChI=1S/C17H24N4O2S/c1-13-4-5-15(23-13)17-18-14(12-24-17)10-20-6-8-21(9-7-20)11-16(22)19(2)3/h4-5,12H,6-11H2,1-3H3
InChIKeyOSCHOVWNYXHWGK-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.92
Rot. Bonds5

About N,N-dimethyl-2-[4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide

N,N-dimethyl-2-[4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide (PubChem CID 36935480) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide
PubChem CID36935480
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN,N-dimethyl-2-[4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide
SMILESCc1ccc(-c2nc(CN3CCN(CC(=O)N(C)C)CC3)cs2)o1
InChIInChI=1S/C17H24N4O2S/c1-13-4-5-15(23-13)17-18-14(12-24-17)10-20-6-8-21(9-7-20)11-16(22)19(2)3/h4-5,12H,6-11H2,1-3H3
InChIKeyOSCHOVWNYXHWGK-UHFFFAOYSA-N
XLogP1.92
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide (CID 36935480) is N,N-dimethyl-2-[4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide is Cc1ccc(-c2nc(CN3CCN(CC(=O)N(C)C)CC3)cs2)o1.
What is the InChIKey of N,N-dimethyl-2-[4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide?
The InChIKey is OSCHOVWNYXHWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-13-4-5-15(23-13)17-18-14(12-24-17)10-20-6-8-21(9-7-20)11-16(22)19(2)3/h4-5,12H,6-11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide?
N,N-dimethyl-2-[4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide has a molecular weight of 348.47 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 36935480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).