N-(3,5-dimethoxyphenyl)-1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine

C19H28N4O2S — CID 133485658

IUPACN-(3,5-dimethoxyphenyl)-1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine
SMILESCOc1cc(NC2CCN(c3nc(CC(C)C)ns3)CC2)cc(OC)c1
InChIInChI=1S/C19H28N4O2S/c1-13(2)9-18-21-19(26-22-18)23-7-5-14(6-8-23)20-15-10-16(24-3)12-17(11-15)25-4/h10-14,20H,5-9H2,1-4H3
InChIKeyXIZCXDMWGMKHKH-UHFFFAOYSA-N
MW376.53 g/mol
LogP3.83
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine

N-(3,5-dimethoxyphenyl)-1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine (PubChem CID 133485658) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine
PubChem CID133485658
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC NameN-(3,5-dimethoxyphenyl)-1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine
SMILESCOc1cc(NC2CCN(c3nc(CC(C)C)ns3)CC2)cc(OC)c1
InChIInChI=1S/C19H28N4O2S/c1-13(2)9-18-21-19(26-22-18)23-7-5-14(6-8-23)20-15-10-16(24-3)12-17(11-15)25-4/h10-14,20H,5-9H2,1-4H3
InChIKeyXIZCXDMWGMKHKH-UHFFFAOYSA-N
XLogP3.83
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103739089
N-(3,5-dimethoxyphenyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-amine
CID 133362371
3-(2-methylpropyl)-5-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-1,2,4-thiadiazole
CID 133485848
5-(4-cyclohexylpiperazin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole
CID 133493059
N-(3-bromo-5-methoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103936643
[2-[4-(3,5-dimethoxyanilino)piperidin-1-yl]quinolin-3-yl]methanol
CID 133337541
5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole
CID 133491255
N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine
CID 126887417
N-(3,5-dimethoxyphenyl)-1-(4-methyl-2-pyridinyl)piperidin-4-amine
CID 122144100
4-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]morpholine
CID 133484390
4-(3,5-dimethoxyphenyl)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol
CID 133362474
3-(2-methylpropyl)-5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133493081

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine (CID 133485658) is N-(3,5-dimethoxyphenyl)-1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine is COc1cc(NC2CCN(c3nc(CC(C)C)ns3)CC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine?
The InChIKey is XIZCXDMWGMKHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-13(2)9-18-21-19(26-22-18)23-7-5-14(6-8-23)20-15-10-16(24-3)12-17(11-15)25-4/h10-14,20H,5-9H2,1-4H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine?
N-(3,5-dimethoxyphenyl)-1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine has a molecular weight of 376.53 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine is sourced from PubChem (CID 133485658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).