N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide

C18H26N6OS — CID 46971924

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCC(C)(C)c1nnc(NC(=O)CN2CCN(Cc3ccccn3)CC2)s1
InChIInChI=1S/C18H26N6OS/c1-18(2,3)16-21-22-17(26-16)20-15(25)13-24-10-8-23(9-11-24)12-14-6-4-5-7-19-14/h4-7H,8-13H2,1-3H3,(H,20,22,25)
InChIKeyARSIQFFESMWMCJ-UHFFFAOYSA-N
MW374.51 g/mol
LogP1.99
Rot. Bonds5

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 46971924) has the molecular formula C18H26N6OS and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
PubChem CID46971924
Molecular FormulaC18H26N6OS
Molecular Weight374.51 g/mol
Exact Mass374.19
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCC(C)(C)c1nnc(NC(=O)CN2CCN(Cc3ccccn3)CC2)s1
InChIInChI=1S/C18H26N6OS/c1-18(2,3)16-21-22-17(26-16)20-15(25)13-24-10-8-23(9-11-24)12-14-6-4-5-7-19-14/h4-7H,8-13H2,1-3H3,(H,20,22,25)
InChIKeyARSIQFFESMWMCJ-UHFFFAOYSA-N
XLogP1.99
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55470537
N-(2,6-dichlorophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 46666961
N-(4-phenoxyphenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 46666451
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 33034904
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3568652
2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46488455
N-(2-methoxyethyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 33034393
N-(4-methyl-3-nitrophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 34727808
1-(2-methylprop-2-enyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134055422
N-[(4-methoxyphenyl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 34727834
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 6464660
3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide (CID 46971924) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide is CC(C)(C)c1nnc(NC(=O)CN2CCN(Cc3ccccn3)CC2)s1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is ARSIQFFESMWMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6OS/c1-18(2,3)16-21-22-17(26-16)20-15(25)13-24-10-8-23(9-11-24)12-14-6-4-5-7-19-14/h4-7H,8-13H2,1-3H3,(H,20,22,25).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 374.51 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 46971924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).