N-(3-methoxyphenyl)-1-(1,3,4-thiadiazol-2-ylmethyl)piperidin-4-amine

C15H20N4OS — CID 138027618

IUPACN-(3-methoxyphenyl)-1-(1,3,4-thiadiazol-2-ylmethyl)piperidin-4-amine
SMILESCOc1cccc(NC2CCN(Cc3nncs3)CC2)c1
InChIInChI=1S/C15H20N4OS/c1-20-14-4-2-3-13(9-14)17-12-5-7-19(8-6-12)10-15-18-16-11-21-15/h2-4,9,11-12,17H,5-8,10H2,1H3
InChIKeyUFVSIYNTVLVBPV-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.62
Rot. Bonds5

About N-(3-methoxyphenyl)-1-(1,3,4-thiadiazol-2-ylmethyl)piperidin-4-amine

N-(3-methoxyphenyl)-1-(1,3,4-thiadiazol-2-ylmethyl)piperidin-4-amine (PubChem CID 138027618) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-(1,3,4-thiadiazol-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-(1,3,4-thiadiazol-2-ylmethyl)piperidin-4-amine
PubChem CID138027618
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-(3-methoxyphenyl)-1-(1,3,4-thiadiazol-2-ylmethyl)piperidin-4-amine
SMILESCOc1cccc(NC2CCN(Cc3nncs3)CC2)c1
InChIInChI=1S/C15H20N4OS/c1-20-14-4-2-3-13(9-14)17-12-5-7-19(8-6-12)10-15-18-16-11-21-15/h2-4,9,11-12,17H,5-8,10H2,1H3
InChIKeyUFVSIYNTVLVBPV-UHFFFAOYSA-N
XLogP2.62
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(3-methoxyphenyl)piperidin-4-amine
CID 75439321
4-methoxy-N-[1-(1,3,4-thiadiazol-2-ylmethyl)azepan-4-yl]benzamide
CID 167875569
N-(3-methoxyphenyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-amine
CID 133372597
N-(4,4-difluorocyclohexyl)-3-methoxyaniline
CID 171662901
1-(6-ethyl-2-methylpyrimidin-4-yl)-N-(3-methoxyphenyl)piperidin-4-amine
CID 133460647
N-(3-ethoxyphenyl)-1-propylpiperidin-4-amine
CID 54864978
tert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate
CID 22557965
[4-[2-[3-(3-methoxyanilino)pyrrolidin-1-yl]ethoxy]phenyl]methanol
CID 145415538
N-(3-methoxyphenyl)-2-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]acetamide
CID 163345188
1-(1,3-benzothiazol-2-ylmethyl)-N-(3-ethoxy-4-methoxyphenyl)piperidin-4-amine
CID 46882447
1-[4-(3-methoxyanilino)piperidin-1-yl]-2,2-diphenylethanone
CID 3570393
N-(3,4-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 3373355

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-(1,3,4-thiadiazol-2-ylmethyl)piperidin-4-amine?
The IUPAC name of N-(3-methoxyphenyl)-1-(1,3,4-thiadiazol-2-ylmethyl)piperidin-4-amine (CID 138027618) is N-(3-methoxyphenyl)-1-(1,3,4-thiadiazol-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-1-(1,3,4-thiadiazol-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-(3-methoxyphenyl)-1-(1,3,4-thiadiazol-2-ylmethyl)piperidin-4-amine is COc1cccc(NC2CCN(Cc3nncs3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-(1,3,4-thiadiazol-2-ylmethyl)piperidin-4-amine?
The InChIKey is UFVSIYNTVLVBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-20-14-4-2-3-13(9-14)17-12-5-7-19(8-6-12)10-15-18-16-11-21-15/h2-4,9,11-12,17H,5-8,10H2,1H3.
What are the key properties of N-(3-methoxyphenyl)-1-(1,3,4-thiadiazol-2-ylmethyl)piperidin-4-amine?
N-(3-methoxyphenyl)-1-(1,3,4-thiadiazol-2-ylmethyl)piperidin-4-amine has a molecular weight of 304.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-(1,3,4-thiadiazol-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 138027618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).