N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-4-ylazetidine-1-carboxamide

C13H16N6OS — CID 131941315

IUPACN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-4-ylazetidine-1-carboxamide
SMILESNc1nnc(CCNC(=O)N2CC(c3ccncc3)C2)s1
InChIInChI=1S/C13H16N6OS/c14-12-18-17-11(21-12)3-6-16-13(20)19-7-10(8-19)9-1-4-15-5-2-9/h1-2,4-5,10H,3,6-8H2,(H2,14,18)(H,16,20)
InChIKeyBMBYCARDFOVZDG-UHFFFAOYSA-N
MW304.38 g/mol
LogP0.87
Rot. Bonds4

About N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-4-ylazetidine-1-carboxamide

N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-4-ylazetidine-1-carboxamide (PubChem CID 131941315) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-4-ylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-4-ylazetidine-1-carboxamide
PubChem CID131941315
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-4-ylazetidine-1-carboxamide
SMILESNc1nnc(CCNC(=O)N2CC(c3ccncc3)C2)s1
InChIInChI=1S/C13H16N6OS/c14-12-18-17-11(21-12)3-6-16-13(20)19-7-10(8-19)9-1-4-15-5-2-9/h1-2,4-5,10H,3,6-8H2,(H2,14,18)(H,16,20)
InChIKeyBMBYCARDFOVZDG-UHFFFAOYSA-N
XLogP0.87
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxybutyl)-3-pyridin-4-ylazetidine-1-carboxamide
CID 131893588
N-[3-[ethyl(methyl)amino]butyl]-3-pyridin-4-ylazetidine-1-carboxamide;formic acid
CID 154908496
N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-pyridin-4-ylazetidine-1-carboxamide
CID 126442996
(1R,8R,9S)-11-acetyl-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-8-carboxamide
CID 169416828
(3aR,4R,7S,7aS)-N-(2-pyridin-4-ylethyl)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide
CID 155955584
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]-4-[(3R)-piperidin-3-yl]benzamide
CID 97207201
(3R,6S)-1-acetyl-6-amino-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]azepane-3-carboxamide;hydrochloride
CID 166600310
N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 113258758
3-methyl-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 113258779
N-[(1-morpholin-4-ylcyclopentyl)methyl]-3-pyridin-4-ylazetidine-1-carboxamide
CID 119066543
2-[1-(2-pyridin-4-ylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682944

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-4-ylazetidine-1-carboxamide?
The IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-4-ylazetidine-1-carboxamide (CID 131941315) is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-4-ylazetidine-1-carboxamide.
What is the SMILES notation for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-4-ylazetidine-1-carboxamide?
The canonical SMILES for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-4-ylazetidine-1-carboxamide is Nc1nnc(CCNC(=O)N2CC(c3ccncc3)C2)s1.
What is the InChIKey of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-4-ylazetidine-1-carboxamide?
The InChIKey is BMBYCARDFOVZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c14-12-18-17-11(21-12)3-6-16-13(20)19-7-10(8-19)9-1-4-15-5-2-9/h1-2,4-5,10H,3,6-8H2,(H2,14,18)(H,16,20).
What are the key properties of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-4-ylazetidine-1-carboxamide?
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-4-ylazetidine-1-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 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-pyridin-4-ylazetidine-1-carboxamide is sourced from PubChem (CID 131941315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).