N-(3-methoxypropyl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide

C13H23N5O2S — CID 167935801

IUPACN-(3-methoxypropyl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(c2nc(C)ns2)CC1
InChIInChI=1S/C13H23N5O2S/c1-11-15-13(21-16-11)18-7-5-17(6-8-18)10-12(19)14-4-3-9-20-2/h3-10H2,1-2H3,(H,14,19)
InChIKeyRSCDWQMUFGQFKS-UHFFFAOYSA-N
MW313.43 g/mol
LogP0.12
Rot. Bonds7

About N-(3-methoxypropyl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide

N-(3-methoxypropyl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide (PubChem CID 167935801) has the molecular formula C13H23N5O2S and a molecular weight of 313.43 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide
PubChem CID167935801
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC NameN-(3-methoxypropyl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(c2nc(C)ns2)CC1
InChIInChI=1S/C13H23N5O2S/c1-11-15-13(21-16-11)18-7-5-17(6-8-18)10-12(19)14-4-3-9-20-2/h3-10H2,1-2H3,(H,14,19)
InChIKeyRSCDWQMUFGQFKS-UHFFFAOYSA-N
XLogP0.12
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethylamino)-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone;dihydrochloride
CID 119894259
N-(3-methoxypropyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetamide
CID 55432329
2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanethioamide
CID 65268198
N-(3-methoxypropyl)-2-[4-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]acetamide
CID 55428887
N-(3-methoxypropyl)-2-[4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 24561151
N-(3-methoxypropyl)-2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 55543914
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55432469
N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]acetamide
CID 133358321
N-(3-methoxypropyl)-2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperazin-1-yl]acetamide
CID 55550560
2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 78871572
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133328044
N-(3-methoxypropyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115304935

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide (CID 167935801) is N-(3-methoxypropyl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide is COCCCNC(=O)CN1CCN(c2nc(C)ns2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide?
The InChIKey is RSCDWQMUFGQFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S/c1-11-15-13(21-16-11)18-7-5-17(6-8-18)10-12(19)14-4-3-9-20-2/h3-10H2,1-2H3,(H,14,19).
What are the key properties of N-(3-methoxypropyl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide?
N-(3-methoxypropyl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide has a molecular weight of 313.43 g/mol, XLogP of 0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 167935801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).