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

C9H12N4OS — CID 106396072

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESCc1ncc(CNCCc2ncon2)s1
InChIInChI=1S/C9H12N4OS/c1-7-11-5-8(15-7)4-10-3-2-9-12-6-14-13-9/h5-6,10H,2-4H2,1H3
InChIKeyFMSJNVDKIRHAEL-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.17
Rot. Bonds5

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

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 106396072) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID106396072
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESCc1ncc(CNCCc2ncon2)s1
InChIInChI=1S/C9H12N4OS/c1-7-11-5-8(15-7)4-10-3-2-9-12-6-14-13-9/h5-6,10H,2-4H2,1H3
InChIKeyFMSJNVDKIRHAEL-UHFFFAOYSA-N
XLogP1.17
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.17
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

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396411
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395688
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 103647951
2-(1,2,4-oxadiazol-3-yl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 106395418
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395589
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106400820
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395888
N-[(2,5-dimethylphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183364
N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396500
N'-[(2-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 60937078
3-methyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine
CID 64677698
5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 106404263

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine (CID 106396072) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine is Cc1ncc(CNCCc2ncon2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is FMSJNVDKIRHAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-7-11-5-8(15-7)4-10-3-2-9-12-6-14-13-9/h5-6,10H,2-4H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 224.29 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 106396072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).