N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C18H26N4O2S — CID 133428769

IUPACN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCOc1cc(OC)cc(N2CCC(N(C)c3nc(C(C)C)ns3)C2)c1
InChIInChI=1S/C18H26N4O2S/c1-12(2)17-19-18(25-20-17)21(3)13-6-7-22(11-13)14-8-15(23-4)10-16(9-14)24-5/h8-10,12-13H,6-7,11H2,1-5H3
InChIKeyWLLQDUQYYKQVQY-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.39
Rot. Bonds6

About N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 133428769) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID133428769
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC NameN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCOc1cc(OC)cc(N2CCC(N(C)c3nc(C(C)C)ns3)C2)c1
InChIInChI=1S/C18H26N4O2S/c1-12(2)17-19-18(25-20-17)21(3)13-6-7-22(11-13)14-8-15(23-4)10-16(9-14)24-5/h8-10,12-13H,6-7,11H2,1-5H3
InChIKeyWLLQDUQYYKQVQY-UHFFFAOYSA-N
XLogP3.39
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-methoxy-N-methylpyrimidin-2-amine
CID 133356607
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpyrimidin-2-amine
CID 71863951
N-[(3S)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpyrimidin-2-amine
CID 96525946
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133356577
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133356559
2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 172881079
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133356610
N-(3,5-dimethoxyphenyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-amine
CID 133362371
1-(3,5-dimethoxyphenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]pyrrolidin-2-one
CID 133428745
N-[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylthiophene-3-carboxamide
CID 96568851
(3R)-1-(3,5-dimethoxyphenyl)-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-amine
CID 96569478
2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 172881199

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 133428769) is N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine is COc1cc(OC)cc(N2CCC(N(C)c3nc(C(C)C)ns3)C2)c1.
What is the InChIKey of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is WLLQDUQYYKQVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-12(2)17-19-18(25-20-17)21(3)13-6-7-22(11-13)14-8-15(23-4)10-16(9-14)24-5/h8-10,12-13H,6-7,11H2,1-5H3.
What are the key properties of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 362.50 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133428769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).