N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine

C14H18N4S — CID 14556384

IUPACN-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
SMILESCNC1CCN(c2nnc(-c3ccccc3)s2)CC1
InChIInChI=1S/C14H18N4S/c1-15-12-7-9-18(10-8-12)14-17-16-13(19-14)11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3
InChIKeyAUNZQBKIJYAOLU-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.39
Rot. Bonds3

About N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine

N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine (PubChem CID 14556384) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
PubChem CID14556384
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC NameN-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
SMILESCNC1CCN(c2nnc(-c3ccccc3)s2)CC1
InChIInChI=1S/C14H18N4S/c1-15-12-7-9-18(10-8-12)14-17-16-13(19-14)11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3
InChIKeyAUNZQBKIJYAOLU-UHFFFAOYSA-N
XLogP2.39
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Cyclopentyl-(5-p-tolyl-[1,3,4]thiadiazol-2-yl)-amine
CID 6491002
1-[5-(4-Methylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 46907692
3-(5-(1,4''-Bipiperidin-1''-yl)-1,3,4-thiadiazol-2-yl)benzonitrile
CID 53320488
2-(1,4''-Bipiperidin-1''-yl)-5-o-tolyl-1,3,4-thiadiazole
CID 53320491
2-(1,4''-Bipiperidin-1''-yl)-5-phenyl-1,3,4-thiadiazole
CID 53321787
2-(1,4''-Bipiperidin-1''-yl)-5-(2-fluorophenyl)-1,3,4-thiadiazole
CID 53321789
2-(1,4''-Bipiperidin-1''-yl)-5-(4-fluorophenyl)-1,3,4-thiadiazole
CID 53321790
2-(1,4''-Bipiperidin-1''-yl)-5-(3-fluorophenyl)-1,3,4-thiadiazole
CID 53325775
4-(5-(1,4''-Bipiperidin-1''-yl)-1,3,4-thiadiazol-2-yl)benzonitrile
CID 53325779
Piperazine, 1-methyl-4-(5-phenyl-1,3,4-thiadiazol-2-yl)-
CID 1500024
3-[(2-Cyanoethyl)(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile
CID 661530
2-(3-Methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 53317857

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine?
The IUPAC name of N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine (CID 14556384) is N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine.
What is the SMILES notation for N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine?
The canonical SMILES for N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine is CNC1CCN(c2nnc(-c3ccccc3)s2)CC1.
What is the InChIKey of N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine?
The InChIKey is AUNZQBKIJYAOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-15-12-7-9-18(10-8-12)14-17-16-13(19-14)11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3.
What are the key properties of N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine?
N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine has a molecular weight of 274.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine is sourced from PubChem (CID 14556384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).