N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3R)-piperidin-3-yl]benzamide

C17H23N5OS — CID 97207201

IUPACN-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3R)-piperidin-3-yl]benzamide
SMILESNc1nnc(CCCNC(=O)c2ccc([C@H]3CCCNC3)cc2)s1
InChIInChI=1S/C17H23N5OS/c18-17-22-21-15(24-17)4-2-10-20-16(23)13-7-5-12(6-8-13)14-3-1-9-19-11-14/h5-8,14,19H,1-4,9-11H2,(H2,18,22)(H,20,23)/t14-/m0/s1
InChIKeyMQIKVHIAVPJDIR-AWEZNQCLSA-N
MW345.47 g/mol
LogP1.95
Rot. Bonds6

About N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3R)-piperidin-3-yl]benzamide

N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3R)-piperidin-3-yl]benzamide (PubChem CID 97207201) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3R)-piperidin-3-yl]benzamide
PubChem CID97207201
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3R)-piperidin-3-yl]benzamide
SMILESNc1nnc(CCCNC(=O)c2ccc([C@H]3CCCNC3)cc2)s1
InChIInChI=1S/C17H23N5OS/c18-17-22-21-15(24-17)4-2-10-20-16(23)13-7-5-12(6-8-13)14-3-1-9-19-11-14/h5-8,14,19H,1-4,9-11H2,(H2,18,22)(H,20,23)/t14-/m0/s1
InChIKeyMQIKVHIAVPJDIR-AWEZNQCLSA-N
XLogP1.95
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97195563
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]benzamide
CID 46785995
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72855136
N-(3-cyclopentyloxypropyl)-4-[(3R)-piperidin-3-yl]benzamide
CID 97189956
N-ethyl-4-piperidin-3-ylbenzamide
CID 172654355
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dichlorobenzamide
CID 92659568
N-[2-(dimethylsulfamoyl)ethyl]-4-piperidin-3-ylbenzamide
CID 77084725
N-[2-(1H-imidazol-5-yl)ethyl]-4-piperidin-3-ylbenzamide
CID 77082920
4-piperidin-3-yl-N-(2-pyrazin-2-ylethyl)benzamide
CID 72860445
4-[(3R)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)benzamide
CID 97191641
N-[3-(cyclohexylamino)-3-oxopropyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97200837
N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride
CID 172654364

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3R)-piperidin-3-yl]benzamide (CID 97207201) is N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3R)-piperidin-3-yl]benzamide.
What is the SMILES notation for N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3R)-piperidin-3-yl]benzamide is Nc1nnc(CCCNC(=O)c2ccc([C@H]3CCCNC3)cc2)s1.
What is the InChIKey of N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is MQIKVHIAVPJDIR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N5OS/c18-17-22-21-15(24-17)4-2-10-20-16(23)13-7-5-12(6-8-13)14-3-1-9-19-11-14/h5-8,14,19H,1-4,9-11H2,(H2,18,22)(H,20,23)/t14-/m0/s1.
What are the key properties of N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3R)-piperidin-3-yl]benzamide?
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 345.47 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 97207201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).