N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine

C9H11ClN4OS — CID 104878939

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCc1nc(CCNCc2ncc(Cl)s2)no1
InChIInChI=1S/C9H11ClN4OS/c1-6-13-8(14-15-6)2-3-11-5-9-12-4-7(10)16-9/h4,11H,2-3,5H2,1H3
InChIKeyJCZWSDLPUZCPIL-UHFFFAOYSA-N
MW258.73 g/mol
LogP1.82
Rot. Bonds5

About N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 104878939) has the molecular formula C9H11ClN4OS and a molecular weight of 258.73 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID104878939
Molecular FormulaC9H11ClN4OS
Molecular Weight258.73 g/mol
Exact Mass258.03
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCc1nc(CCNCc2ncc(Cl)s2)no1
InChIInChI=1S/C9H11ClN4OS/c1-6-13-8(14-15-6)2-3-11-5-9-12-4-7(10)16-9/h4,11H,2-3,5H2,1H3
InChIKeyJCZWSDLPUZCPIL-UHFFFAOYSA-N
XLogP1.82
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 106415872
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 106413859
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104879651
N-[(3-chloro-4-methylphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 106833818
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1,3-oxazol-5-ylmethyl)ethanamine
CID 106413933
N-[(5-tert-butylthiophen-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 103816282
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)methanamine
CID 104879256
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 107124058
[4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenyl]methanol
CID 114186023
N'-butan-2-yl-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 104878961
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 106398362
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 104878329

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine (CID 104878939) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine is Cc1nc(CCNCc2ncc(Cl)s2)no1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is JCZWSDLPUZCPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4OS/c1-6-13-8(14-15-6)2-3-11-5-9-12-4-7(10)16-9/h4,11H,2-3,5H2,1H3.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 258.73 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 104878939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).