4-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]piperidine-4-carboxamide

C15H18N4O2S2 — CID 119757450

IUPAC4-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2ccc(Sc3nncs3)cc2)CCNCC1
InChIInChI=1S/C15H18N4O2S2/c1-21-15(6-8-16-9-7-15)13(20)18-11-2-4-12(5-3-11)23-14-19-17-10-22-14/h2-5,10,16H,6-9H2,1H3,(H,18,20)
InChIKeySHLUHDZQRZDFKE-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.40
Rot. Bonds5

About 4-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]piperidine-4-carboxamide

4-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]piperidine-4-carboxamide (PubChem CID 119757450) has the molecular formula C15H18N4O2S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]piperidine-4-carboxamide
PubChem CID119757450
Molecular FormulaC15H18N4O2S2
Molecular Weight350.47 g/mol
Exact Mass350.09
IUPAC Name4-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2ccc(Sc3nncs3)cc2)CCNCC1
InChIInChI=1S/C15H18N4O2S2/c1-21-15(6-8-16-9-7-15)13(20)18-11-2-4-12(5-3-11)23-14-19-17-10-22-14/h2-5,10,16H,6-9H2,1H3,(H,18,20)
InChIKeySHLUHDZQRZDFKE-UHFFFAOYSA-N
XLogP2.40
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide
CID 119773920
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide
CID 119700058
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
4-methoxy-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119670964
(2S)-2-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide
CID 94210728
4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 119694020
4-methoxy-N-(4-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119671002
4-methoxy-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119672814
4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119700736
cis-(1R,2S)-2-methyl-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]cyclopropane-1-carboxamide
CID 94210735
N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrrolidine-2-carboxamide
CID 119308416
4-methoxy-N-[4-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 119756449

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]piperidine-4-carboxamide (CID 119757450) is 4-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]piperidine-4-carboxamide is COC1(C(=O)Nc2ccc(Sc3nncs3)cc2)CCNCC1.
What is the InChIKey of 4-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]piperidine-4-carboxamide?
The InChIKey is SHLUHDZQRZDFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S2/c1-21-15(6-8-16-9-7-15)13(20)18-11-2-4-12(5-3-11)23-14-19-17-10-22-14/h2-5,10,16H,6-9H2,1H3,(H,18,20).
What are the key properties of 4-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]piperidine-4-carboxamide?
4-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]piperidine-4-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 119757450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).