methyl 2-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetate

C15H18N4O2S — CID 75477877

IUPACmethyl 2-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(c2nnc(-c3ccccn3)s2)CC1
InChIInChI=1S/C15H18N4O2S/c1-21-13(20)10-11-5-8-19(9-6-11)15-18-17-14(22-15)12-4-2-3-7-16-12/h2-4,7,11H,5-6,8-10H2,1H3
InChIKeyKWGRWCQMFXLHNC-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.38
Rot. Bonds4

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

methyl 2-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetate (PubChem CID 75477877) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is methyl 2-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetate
PubChem CID75477877
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Namemethyl 2-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(c2nnc(-c3ccccn3)s2)CC1
InChIInChI=1S/C15H18N4O2S/c1-21-13(20)10-11-5-8-19(9-6-11)15-18-17-14(22-15)12-4-2-3-7-16-12/h2-4,7,11H,5-6,8-10H2,1H3
InChIKeyKWGRWCQMFXLHNC-UHFFFAOYSA-N
XLogP2.38
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(ethoxymethyl)piperidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 75477890
1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxylic acid
CID 122064429
2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 99822591
2-[(3S,4S)-4-methyl-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]acetic acid
CID 154771477
(2R)-1-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 133486328
2-(4-methylsulfonylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole
CID 133467685
ethyl 6-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]pyridine-3-carboxylate
CID 133468294
2-(4-ethyl-1,4-diazepan-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole
CID 133454665
1-(4-fluorophenyl)-3-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]urea
CID 133443158
(3-hydroxyphenyl)-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
CID 133443143
(3-chlorophenyl)-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
CID 133468145
2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 133467171

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetate?
The IUPAC name of methyl 2-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetate (CID 75477877) is methyl 2-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetate is COC(=O)CC1CCN(c2nnc(-c3ccccn3)s2)CC1.
What is the InChIKey of methyl 2-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetate?
The InChIKey is KWGRWCQMFXLHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-21-13(20)10-11-5-8-19(9-6-11)15-18-17-14(22-15)12-4-2-3-7-16-12/h2-4,7,11H,5-6,8-10H2,1H3.
What are the key properties of methyl 2-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetate?
methyl 2-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetate has a molecular weight of 318.40 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetate is sourced from PubChem (CID 75477877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).