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

C20H30N4S — CID 46993017

IUPACN-(4-methylpentan-2-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine
SMILESCc1nnc(-c2cccc(N3CCC(NC(C)CC(C)C)CC3)c2)s1
InChIInChI=1S/C20H30N4S/c1-14(2)12-15(3)21-18-8-10-24(11-9-18)19-7-5-6-17(13-19)20-23-22-16(4)25-20/h5-7,13-15,18,21H,8-12H2,1-4H3
InChIKeyAKUSRDXEMAUGTR-UHFFFAOYSA-N
MW358.56 g/mol
LogP4.51
Rot. Bonds6

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

N-(4-methylpentan-2-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine (PubChem CID 46993017) has the molecular formula C20H30N4S and a molecular weight of 358.56 g/mol. Its IUPAC name is N-(4-methylpentan-2-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(4-methylpentan-2-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine
PubChem CID46993017
Molecular FormulaC20H30N4S
Molecular Weight358.56 g/mol
Exact Mass358.22
IUPAC NameN-(4-methylpentan-2-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine
SMILESCc1nnc(-c2cccc(N3CCC(NC(C)CC(C)C)CC3)c2)s1
InChIInChI=1S/C20H30N4S/c1-14(2)12-15(3)21-18-8-10-24(11-9-18)19-7-5-6-17(13-19)20-23-22-16(4)25-20/h5-7,13-15,18,21H,8-12H2,1-4H3
InChIKeyAKUSRDXEMAUGTR-UHFFFAOYSA-N
XLogP4.51
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.56
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentan-2-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine?
The IUPAC name of N-(4-methylpentan-2-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine (CID 46993017) is N-(4-methylpentan-2-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-(4-methylpentan-2-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine?
The canonical SMILES for N-(4-methylpentan-2-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine is Cc1nnc(-c2cccc(N3CCC(NC(C)CC(C)C)CC3)c2)s1.
What is the InChIKey of N-(4-methylpentan-2-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine?
The InChIKey is AKUSRDXEMAUGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4S/c1-14(2)12-15(3)21-18-8-10-24(11-9-18)19-7-5-6-17(13-19)20-23-22-16(4)25-20/h5-7,13-15,18,21H,8-12H2,1-4H3.
What are the key properties of N-(4-methylpentan-2-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine?
N-(4-methylpentan-2-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine has a molecular weight of 358.56 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 46993017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).