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

C16H21N5OS — CID 97195563

IUPACN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(3S)-piperidin-3-yl]benzamide
SMILESNc1nnc(CCNC(=O)c2cccc([C@@H]3CCCNC3)c2)s1
InChIInChI=1S/C16H21N5OS/c17-16-21-20-14(23-16)6-8-19-15(22)12-4-1-3-11(9-12)13-5-2-7-18-10-13/h1,3-4,9,13,18H,2,5-8,10H2,(H2,17,21)(H,19,22)/t13-/m1/s1
InChIKeyCYPVCMBDJAMCCC-CYBMUJFWSA-N
MW331.45 g/mol
LogP1.56
Rot. Bonds5

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

N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(3S)-piperidin-3-yl]benzamide (PubChem CID 97195563) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(3S)-piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(3S)-piperidin-3-yl]benzamide
PubChem CID97195563
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(3S)-piperidin-3-yl]benzamide
SMILESNc1nnc(CCNC(=O)c2cccc([C@@H]3CCCNC3)c2)s1
InChIInChI=1S/C16H21N5OS/c17-16-21-20-14(23-16)6-8-19-15(22)12-4-1-3-11(9-12)13-5-2-7-18-10-13/h1,3-4,9,13,18H,2,5-8,10H2,(H2,17,21)(H,19,22)/t13-/m1/s1
InChIKeyCYPVCMBDJAMCCC-CYBMUJFWSA-N
XLogP1.56
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97207201
N-butyl-3-piperidin-3-ylbenzamide
CID 172654408
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-3-piperidin-3-ylbenzamide
CID 77086327
N-[3-(1H-imidazol-2-yl)propyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97200911
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70747598
N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride
CID 172654417
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-[(3R)-piperidin-3-yl]benzamide
CID 97195958
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 99939569
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97193467
3-piperidin-3-yl-N-propan-2-ylbenzamide;hydrochloride
CID 172654397
N-[1-(methoxymethyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97188264
N-(2-amino-5-fluorophenyl)-3-piperidin-3-ylbenzamide
CID 167775583

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(3S)-piperidin-3-yl]benzamide?
The IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(3S)-piperidin-3-yl]benzamide (CID 97195563) is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(3S)-piperidin-3-yl]benzamide.
What is the SMILES notation for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(3S)-piperidin-3-yl]benzamide?
The canonical SMILES for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(3S)-piperidin-3-yl]benzamide is Nc1nnc(CCNC(=O)c2cccc([C@@H]3CCCNC3)c2)s1.
What is the InChIKey of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(3S)-piperidin-3-yl]benzamide?
The InChIKey is CYPVCMBDJAMCCC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N5OS/c17-16-21-20-14(23-16)6-8-19-15(22)12-4-1-3-11(9-12)13-5-2-7-18-10-13/h1,3-4,9,13,18H,2,5-8,10H2,(H2,17,21)(H,19,22)/t13-/m1/s1.
What are the key properties of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(3S)-piperidin-3-yl]benzamide?
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(3S)-piperidin-3-yl]benzamide has a molecular weight of 331.45 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(3S)-piperidin-3-yl]benzamide is sourced from PubChem (CID 97195563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).