N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine

C16H17N5OS — CID 133378772

IUPACN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1nc(C2CC2)ns1)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C16H17N5OS/c1-10(17-16-19-15(21-23-16)12-7-8-12)14-18-13(22-20-14)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,17,19,21)
InChIKeyKTLCWTBDOJBFFL-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.56
Rot. Bonds6

About N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine

N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine (PubChem CID 133378772) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
PubChem CID133378772
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC NameN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1nc(C2CC2)ns1)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C16H17N5OS/c1-10(17-16-19-15(21-23-16)12-7-8-12)14-18-13(22-20-14)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,17,19,21)
InChIKeyKTLCWTBDOJBFFL-UHFFFAOYSA-N
XLogP3.56
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine
CID 138043202
(1R)-N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylethanamine
CID 97323492
3-cyclopropyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine
CID 133358780
3-cyclopropyl-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 133352605
1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61326226
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133461765
(2S)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride
CID 119340827
(2S,4S)-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120637714
3-cyclobutyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268424
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-prop-2-enoylazetidine-3-carboxamide
CID 154877094
N-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65271478
(2R)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 119340836

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine (CID 133378772) is N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine is CC(Nc1nc(C2CC2)ns1)c1noc(Cc2ccccc2)n1.
What is the InChIKey of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The InChIKey is KTLCWTBDOJBFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-10(17-16-19-15(21-23-16)12-7-8-12)14-18-13(22-20-14)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,17,19,21).
What are the key properties of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine has a molecular weight of 327.41 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133378772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).