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

C8H10N4OS — CID 63022883

IUPACN-methyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNC(C)c1nnc(-c2cscn2)o1
InChIInChI=1S/C8H10N4OS/c1-5(9-2)7-11-12-8(13-7)6-3-14-4-10-6/h3-5,9H,1-2H3
InChIKeyGQRKDFYVXJWWHC-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.47
Rot. Bonds3

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

N-methyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 63022883) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is N-methyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID63022883
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC NameN-methyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNC(C)c1nnc(-c2cscn2)o1
InChIInChI=1S/C8H10N4OS/c1-5(9-2)7-11-12-8(13-7)6-3-14-4-10-6/h3-5,9H,1-2H3
InChIKeyGQRKDFYVXJWWHC-UHFFFAOYSA-N
XLogP1.47
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 65215976
N-ethyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63023235
phenyl-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55143116
2-methyl-N-[[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 63022370
1-[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 80642159
1-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 114026384
N-methyl-1-(1,3-thiazol-4-yl)ethanamine
CID 46784246
1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62163737
1-[5-(2-bromo-5-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 81117716
N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 65152396
1-[5-(2-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 107993085
1-[5-(5-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62163744

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 63022883) is N-methyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CNC(C)c1nnc(-c2cscn2)o1.
What is the InChIKey of N-methyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is GQRKDFYVXJWWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-5(9-2)7-11-12-8(13-7)6-3-14-4-10-6/h3-5,9H,1-2H3.
What are the key properties of N-methyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-methyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 210.26 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 63022883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).