N-(3,5-dimethoxyphenyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-amine

C18H26N4O2S — CID 133362371

IUPACN-(3,5-dimethoxyphenyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-amine
SMILESCOc1cc(NC2CCCN(c3nc(C(C)C)ns3)C2)cc(OC)c1
InChIInChI=1S/C18H26N4O2S/c1-12(2)17-20-18(25-21-17)22-7-5-6-13(11-22)19-14-8-15(23-3)10-16(9-14)24-4/h8-10,12-13,19H,5-7,11H2,1-4H3
InChIKeyPWOCKQTZAJZGKG-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.76
Rot. Bonds6

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

N-(3,5-dimethoxyphenyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-amine (PubChem CID 133362371) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-amine
PubChem CID133362371
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC NameN-(3,5-dimethoxyphenyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-amine
SMILESCOc1cc(NC2CCCN(c3nc(C(C)C)ns3)C2)cc(OC)c1
InChIInChI=1S/C18H26N4O2S/c1-12(2)17-20-18(25-21-17)22-7-5-6-13(11-22)19-14-8-15(23-3)10-16(9-14)24-4/h8-10,12-13,19H,5-7,11H2,1-4H3
InChIKeyPWOCKQTZAJZGKG-UHFFFAOYSA-N
XLogP3.76
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-amine (CID 133362371) is N-(3,5-dimethoxyphenyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-amine is COc1cc(NC2CCCN(c3nc(C(C)C)ns3)C2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-amine?
The InChIKey is PWOCKQTZAJZGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-12(2)17-20-18(25-21-17)22-7-5-6-13(11-22)19-14-8-15(23-3)10-16(9-14)24-4/h8-10,12-13,19H,5-7,11H2,1-4H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-amine?
N-(3,5-dimethoxyphenyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-amine has a molecular weight of 362.50 g/mol, XLogP of 3.76, 6 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-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-amine is sourced from PubChem (CID 133362371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).