(2R)-N-(1-phenylpiperidin-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide

C16H20N4OS2 — CID 94533498

IUPAC(2R)-N-(1-phenylpiperidin-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESC[C@@H](Sc1nncs1)C(=O)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H20N4OS2/c1-12(23-16-19-17-11-22-16)15(21)18-13-7-9-20(10-8-13)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,18,21)/t12-/m1/s1
InChIKeyIVUFAFBAIALQRQ-GFCCVEGCSA-N
MW348.50 g/mol
LogP2.80
Rot. Bonds5

About (2R)-N-(1-phenylpiperidin-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide

(2R)-N-(1-phenylpiperidin-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (PubChem CID 94533498) has the molecular formula C16H20N4OS2 and a molecular weight of 348.50 g/mol. Its IUPAC name is (2R)-N-(1-phenylpiperidin-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound Name(2R)-N-(1-phenylpiperidin-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
PubChem CID94533498
Molecular FormulaC16H20N4OS2
Molecular Weight348.50 g/mol
Exact Mass348.11
IUPAC Name(2R)-N-(1-phenylpiperidin-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESC[C@@H](Sc1nncs1)C(=O)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H20N4OS2/c1-12(23-16-19-17-11-22-16)15(21)18-13-7-9-20(10-8-13)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,18,21)/t12-/m1/s1
InChIKeyIVUFAFBAIALQRQ-GFCCVEGCSA-N
XLogP2.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]benzamide
CID 51957012
(2S)-N-(4-morpholin-4-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 7990405
(2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylpiperidin-4-yl)propanamide
CID 137098613
(2S)-N-[(1R,2S)-2-methylcyclohexyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 98309879
N-(2-phenylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51235523
(2S)-N-(2,6-dimethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 8935996
N-propan-2-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51184249
N-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46623230
(2S)-N-(cyclobutylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 94193477
N-(benzylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46622694
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873
(2R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51729034

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-phenylpiperidin-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The IUPAC name of (2R)-N-(1-phenylpiperidin-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (CID 94533498) is (2R)-N-(1-phenylpiperidin-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for (2R)-N-(1-phenylpiperidin-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The canonical SMILES for (2R)-N-(1-phenylpiperidin-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is C[C@@H](Sc1nncs1)C(=O)NC1CCN(c2ccccc2)CC1.
What is the InChIKey of (2R)-N-(1-phenylpiperidin-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The InChIKey is IVUFAFBAIALQRQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N4OS2/c1-12(23-16-19-17-11-22-16)15(21)18-13-7-9-20(10-8-13)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,18,21)/t12-/m1/s1.
What are the key properties of (2R)-N-(1-phenylpiperidin-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
(2R)-N-(1-phenylpiperidin-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide has a molecular weight of 348.50 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-phenylpiperidin-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 94533498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).