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

C20H23N5S — CID 72913696

IUPACN-[(3-methyl-4-pyridinyl)methyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
SMILESCc1cnccc1CNC1CCN(c2nnc(-c3ccccc3)s2)CC1
InChIInChI=1S/C20H23N5S/c1-15-13-21-10-7-17(15)14-22-18-8-11-25(12-9-18)20-24-23-19(26-20)16-5-3-2-4-6-16/h2-7,10,13,18,22H,8-9,11-12,14H2,1H3
InChIKeyOINTWZMINCCSMG-UHFFFAOYSA-N
MW365.51 g/mol
LogP3.67
Rot. Bonds5

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

N-[(3-methyl-4-pyridinyl)methyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine (PubChem CID 72913696) has the molecular formula C20H23N5S and a molecular weight of 365.51 g/mol. Its IUPAC name is N-[(3-methyl-4-pyridinyl)methyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(3-methyl-4-pyridinyl)methyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
PubChem CID72913696
Molecular FormulaC20H23N5S
Molecular Weight365.51 g/mol
Exact Mass365.17
IUPAC NameN-[(3-methyl-4-pyridinyl)methyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
SMILESCc1cnccc1CNC1CCN(c2nnc(-c3ccccc3)s2)CC1
InChIInChI=1S/C20H23N5S/c1-15-13-21-10-7-17(15)14-22-18-8-11-25(12-9-18)20-24-23-19(26-20)16-5-3-2-4-6-16/h2-7,10,13,18,22H,8-9,11-12,14H2,1H3
InChIKeyOINTWZMINCCSMG-UHFFFAOYSA-N
XLogP3.67
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3-methyl-4-pyridinyl)methyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine with MolForge

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Related Compounds

1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
CID 72894851
N-[(3-methyl-4-pyridinyl)methyl]-4-phenylcyclohexan-1-amine
CID 114698974
N-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 114698856
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
CID 72842744
4-[[(1-benzylpiperidin-4-yl)amino]methyl]pyridin-3-amine
CID 18321349
1-methyl-N-[(3-methyl-4-pyridinyl)methyl]piperidin-3-amine
CID 114699054
3-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine
CID 114699208
3-[(3-methyl-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
CID 114699082
N-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448832
(1R,5S,6R,7S)-N-[(3-methyl-4-pyridinyl)methyl]-7-phenylbicyclo[3.2.0]heptan-6-amine
CID 51587201
2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine
CID 114698819
3-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]cyclobutan-1-amine
CID 114698616

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine?
The IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine (CID 72913696) is N-[(3-methyl-4-pyridinyl)methyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine.
What is the SMILES notation for N-[(3-methyl-4-pyridinyl)methyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine?
The canonical SMILES for N-[(3-methyl-4-pyridinyl)methyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine is Cc1cnccc1CNC1CCN(c2nnc(-c3ccccc3)s2)CC1.
What is the InChIKey of N-[(3-methyl-4-pyridinyl)methyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine?
The InChIKey is OINTWZMINCCSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5S/c1-15-13-21-10-7-17(15)14-22-18-8-11-25(12-9-18)20-24-23-19(26-20)16-5-3-2-4-6-16/h2-7,10,13,18,22H,8-9,11-12,14H2,1H3.
What are the key properties of N-[(3-methyl-4-pyridinyl)methyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine?
N-[(3-methyl-4-pyridinyl)methyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine has a molecular weight of 365.51 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-pyridinyl)methyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine is sourced from PubChem (CID 72913696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).