methyl 2-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]acetate

C12H20N4O2S — CID 75382019

IUPACmethyl 2-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]acetate
SMILESCCCc1nnc(N2CCN(CC(=O)OC)CC2)s1
InChIInChI=1S/C12H20N4O2S/c1-3-4-10-13-14-12(19-10)16-7-5-15(6-8-16)9-11(17)18-2/h3-9H2,1-2H3
InChIKeyZUHRCAMZYKAQBN-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.79
Rot. Bonds5

About methyl 2-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]acetate

methyl 2-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]acetate (PubChem CID 75382019) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is methyl 2-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]acetate
PubChem CID75382019
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Namemethyl 2-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]acetate
SMILESCCCc1nnc(N2CCN(CC(=O)OC)CC2)s1
InChIInChI=1S/C12H20N4O2S/c1-3-4-10-13-14-12(19-10)16-7-5-15(6-8-16)9-11(17)18-2/h3-9H2,1-2H3
InChIKeyZUHRCAMZYKAQBN-UHFFFAOYSA-N
XLogP0.79
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetate
CID 133328682
2-(4-but-3-ynylpiperazin-1-yl)-5-propyl-1,3,4-thiadiazole
CID 133453685
2-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-5-propyl-1,3,4-thiadiazole
CID 131896517
methyl 2-[10-(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]acetate
CID 22889204
2-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-N-methylacetamide
CID 133466082
methyl 2-[7,10-diethyl-1-(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclotetradec-12-en-4-yl]acetate
CID 167146936
3-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 133383459
8-methoxy-2-(5-propyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 167925873
2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid
CID 170916597
1-[4-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone
CID 82477525
3-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)propanoic acid
CID 82473696
methyl 2-[4-(2-methylphenyl)piperazin-1-yl]acetate
CID 22200648

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]acetate (CID 75382019) is methyl 2-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]acetate is CCCc1nnc(N2CCN(CC(=O)OC)CC2)s1.
What is the InChIKey of methyl 2-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]acetate?
The InChIKey is ZUHRCAMZYKAQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-3-4-10-13-14-12(19-10)16-7-5-15(6-8-16)9-11(17)18-2/h3-9H2,1-2H3.
What are the key properties of methyl 2-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]acetate?
methyl 2-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]acetate has a molecular weight of 284.38 g/mol, XLogP of 0.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]acetate is sourced from PubChem (CID 75382019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).