methyl 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]phenoxy]acetate

C17H20N4O4S — CID 15391223

IUPACmethyl 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)c2nnc(C3CCNCC3)s2)cc1
InChIInChI=1S/C17H20N4O4S/c1-24-14(22)10-25-13-4-2-12(3-5-13)19-15(23)17-21-20-16(26-17)11-6-8-18-9-7-11/h2-5,11,18H,6-10H2,1H3,(H,19,23)
InChIKeyIMNVSNXVPDVKTP-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.81
Rot. Bonds6

About methyl 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]phenoxy]acetate

methyl 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]phenoxy]acetate (PubChem CID 15391223) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is methyl 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]phenoxy]acetate
PubChem CID15391223
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Namemethyl 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)c2nnc(C3CCNCC3)s2)cc1
InChIInChI=1S/C17H20N4O4S/c1-24-14(22)10-25-13-4-2-12(3-5-13)19-15(23)17-21-20-16(26-17)11-6-8-18-9-7-11/h2-5,11,18H,6-10H2,1H3,(H,19,23)
InChIKeyIMNVSNXVPDVKTP-UHFFFAOYSA-N
XLogP1.81
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]phenoxy]acetate with MolForge

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Related Compounds

N-(6-cyclohexyl-3-pyridinyl)-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide
CID 166314873
5-[1-(ethylcarbamoyl)piperidin-3-yl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46375849
5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50816406
N-(4-chlorophenyl)-5-[1-[2-(4-fluorophenoxy)acetyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 50817038
5-[(3R)-1-(4-ethoxybenzoyl)piperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088352
5-[1-(4-fluorobenzoyl)piperidin-4-yl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50816334
N-(4-fluorophenyl)-5-[(3R)-1-[(4-methoxyphenyl)carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879254
5-[1-(2-methoxyacetyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 50816338
methyl 3-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]cyclohexyl]propanoate
CID 18969401
N-[3-(1-methylpiperidin-4-yl)phenyl]-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide
CID 166314838
methyl 2-[4-[(4-methyl-2-piperazin-1-yl-1,3-thiazole-5-carbonyl)amino]phenoxy]acetate
CID 18969434
methyl 2-[4-[(3-cyclopropylthiophene-2-carbonyl)amino]phenoxy]acetate
CID 51095429

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]phenoxy]acetate (CID 15391223) is methyl 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]phenoxy]acetate is COC(=O)COc1ccc(NC(=O)c2nnc(C3CCNCC3)s2)cc1.
What is the InChIKey of methyl 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]phenoxy]acetate?
The InChIKey is IMNVSNXVPDVKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-24-14(22)10-25-13-4-2-12(3-5-13)19-15(23)17-21-20-16(26-17)11-6-8-18-9-7-11/h2-5,11,18H,6-10H2,1H3,(H,19,23).
What are the key properties of methyl 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]phenoxy]acetate?
methyl 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]phenoxy]acetate has a molecular weight of 376.44 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]phenoxy]acetate is sourced from PubChem (CID 15391223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).