N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methyl-1,2,4-thiadiazol-5-amine

C17H24N4OS — CID 133319501

IUPACN-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCOc1ccccc1C(CNc1nc(C)ns1)N1CCCCC1
InChIInChI=1S/C17H24N4OS/c1-13-19-17(23-20-13)18-12-15(21-10-6-3-7-11-21)14-8-4-5-9-16(14)22-2/h4-5,8-9,15H,3,6-7,10-12H2,1-2H3,(H,18,19,20)
InChIKeyLZBCKWTUPHUIDT-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.49
Rot. Bonds6

About N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methyl-1,2,4-thiadiazol-5-amine

N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 133319501) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID133319501
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC NameN-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCOc1ccccc1C(CNc1nc(C)ns1)N1CCCCC1
InChIInChI=1S/C17H24N4OS/c1-13-19-17(23-20-13)18-12-15(21-10-6-3-7-11-21)14-8-4-5-9-16(14)22-2/h4-5,8-9,15H,3,6-7,10-12H2,1-2H3,(H,18,19,20)
InChIKeyLZBCKWTUPHUIDT-UHFFFAOYSA-N
XLogP3.49
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyridin-2-amine
CID 133481541
2,3,5,6-tetrafluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyridin-4-amine
CID 133370616
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969828
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 8023168
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 8023171
2-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 133382457
2-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-N-methylpyridine-3-carboxamide
CID 133319504
2-(difluoromethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinazolin-4-amine
CID 56553723
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 92813665
(E)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 55522169
2-ethyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49372484
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(methylamino)acetamide
CID 120703941

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 133319501) is N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methyl-1,2,4-thiadiazol-5-amine is COc1ccccc1C(CNc1nc(C)ns1)N1CCCCC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is LZBCKWTUPHUIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-13-19-17(23-20-13)18-12-15(21-10-6-3-7-11-21)14-8-4-5-9-16(14)22-2/h4-5,8-9,15H,3,6-7,10-12H2,1-2H3,(H,18,19,20).
What are the key properties of N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 332.47 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133319501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).