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

C18H22N6S — CID 30937433

IUPACN-(2-methylpyrazol-3-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine
SMILESCc1nnc(-c2cccc(N3CCC(Nc4ccnn4C)CC3)c2)s1
InChIInChI=1S/C18H22N6S/c1-13-21-22-18(25-13)14-4-3-5-16(12-14)24-10-7-15(8-11-24)20-17-6-9-19-23(17)2/h3-6,9,12,15,20H,7-8,10-11H2,1-2H3
InChIKeyHCTLQHGQAYHRNE-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.33
Rot. Bonds4

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

N-(2-methylpyrazol-3-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine (PubChem CID 30937433) has the molecular formula C18H22N6S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(2-methylpyrazol-3-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(2-methylpyrazol-3-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine
PubChem CID30937433
Molecular FormulaC18H22N6S
Molecular Weight354.48 g/mol
Exact Mass354.16
IUPAC NameN-(2-methylpyrazol-3-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine
SMILESCc1nnc(-c2cccc(N3CCC(Nc4ccnn4C)CC3)c2)s1
InChIInChI=1S/C18H22N6S/c1-13-21-22-18(25-13)14-4-3-5-16(12-14)24-10-7-15(8-11-24)20-17-6-9-19-23(17)2/h3-6,9,12,15,20H,7-8,10-11H2,1-2H3
InChIKeyHCTLQHGQAYHRNE-UHFFFAOYSA-N
XLogP3.33
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methylpentan-2-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine
CID 46993017
3-[2-[[1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,3-oxazolidin-2-one
CID 31125408
2-[3-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)piperidin-1-yl]phenyl]-5-methyl-1,3,4-thiadiazole
CID 56855156
N-(2-methylpyrazol-3-yl)-2-[4-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]pyrazol-1-yl]acetamide
CID 30956688
2-methyl-N-(4-methylcyclohexyl)pyrazol-3-amine
CID 115702879
1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(oxan-4-yl)piperidin-4-amine
CID 31125725
2-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)pyrazol-3-amine
CID 115702837
2-methyl-N-(3-methylcyclopentyl)pyrazol-3-amine
CID 115702874
2-methyl-5-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]phenyl]-1,3,4-thiadiazole
CID 70754023
1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperidin-4-amine
CID 30854411
N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-phenylphenyl)piperidin-4-amine
CID 30876772
N-(2,6-dimethyloxan-4-yl)-2-methylpyrazol-3-amine
CID 115908239

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrazol-3-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine?
The IUPAC name of N-(2-methylpyrazol-3-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine (CID 30937433) is N-(2-methylpyrazol-3-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-(2-methylpyrazol-3-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine?
The canonical SMILES for N-(2-methylpyrazol-3-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine is Cc1nnc(-c2cccc(N3CCC(Nc4ccnn4C)CC3)c2)s1.
What is the InChIKey of N-(2-methylpyrazol-3-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine?
The InChIKey is HCTLQHGQAYHRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6S/c1-13-21-22-18(25-13)14-4-3-5-16(12-14)24-10-7-15(8-11-24)20-17-6-9-19-23(17)2/h3-6,9,12,15,20H,7-8,10-11H2,1-2H3.
What are the key properties of N-(2-methylpyrazol-3-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine?
N-(2-methylpyrazol-3-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine has a molecular weight of 354.48 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrazol-3-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 30937433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).