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

C19H21N5S — CID 133318293

IUPAC3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine
SMILESc1ccc(-c2nsc(NC3CCN(Cc4ccccn4)CC3)n2)cc1
InChIInChI=1S/C19H21N5S/c1-2-6-15(7-3-1)18-22-19(25-23-18)21-16-9-12-24(13-10-16)14-17-8-4-5-11-20-17/h1-8,11,16H,9-10,12-14H2,(H,21,22,23)
InChIKeyQVYGWWRGHQMUKQ-UHFFFAOYSA-N
MW351.48 g/mol
LogP3.68
Rot. Bonds5

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

3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine (PubChem CID 133318293) has the molecular formula C19H21N5S and a molecular weight of 351.48 g/mol. Its IUPAC name is 3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine
PubChem CID133318293
Molecular FormulaC19H21N5S
Molecular Weight351.48 g/mol
Exact Mass351.15
IUPAC Name3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine
SMILESc1ccc(-c2nsc(NC3CCN(Cc4ccccn4)CC3)n2)cc1
InChIInChI=1S/C19H21N5S/c1-2-6-15(7-3-1)18-22-19(25-23-18)21-16-9-12-24(13-10-16)14-17-8-4-5-11-20-17/h1-8,11,16H,9-10,12-14H2,(H,21,22,23)
InChIKeyQVYGWWRGHQMUKQ-UHFFFAOYSA-N
XLogP3.68
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133321526
N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine
CID 142667116
N-cyclopropyl-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65268605
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,8-naphthyridin-2-amine
CID 167808422
N-cyclopropyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine
CID 65268376
N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea
CID 100572605
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 119153797

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine (CID 133318293) is 3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine is c1ccc(-c2nsc(NC3CCN(Cc4ccccn4)CC3)n2)cc1.
What is the InChIKey of 3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine?
The InChIKey is QVYGWWRGHQMUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5S/c1-2-6-15(7-3-1)18-22-19(25-23-18)21-16-9-12-24(13-10-16)14-17-8-4-5-11-20-17/h1-8,11,16H,9-10,12-14H2,(H,21,22,23).
What are the key properties of 3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine?
3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine has a molecular weight of 351.48 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133318293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).