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

C11H16N4OS — CID 72889899

IUPACN,N-dimethyl-2-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCc1nc(Cc2nc(CCN(C)C)no2)cs1
InChIInChI=1S/C11H16N4OS/c1-8-12-9(7-17-8)6-11-13-10(14-16-11)4-5-15(2)3/h7H,4-6H2,1-3H3
InChIKeyKRYWZGZZZFOBRA-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.53
Rot. Bonds5

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

N,N-dimethyl-2-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 72889899) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID72889899
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC NameN,N-dimethyl-2-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCc1nc(Cc2nc(CCN(C)C)no2)cs1
InChIInChI=1S/C11H16N4OS/c1-8-12-9(7-17-8)6-11-13-10(14-16-11)4-5-15(2)3/h7H,4-6H2,1-3H3
InChIKeyKRYWZGZZZFOBRA-UHFFFAOYSA-N
XLogP1.53
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-(methylsulfanylmethyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazole
CID 72846179
4-[[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 62798238
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86855936
1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349527
2-methyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 81073324
2-methyl-N-[[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 55228442
1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63352239
N,3,3-trimethyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352587
N-ethyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 55201469
4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 115345411
3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
CID 115347282
N-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 62800359

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine (CID 72889899) is N,N-dimethyl-2-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine is Cc1nc(Cc2nc(CCN(C)C)no2)cs1.
What is the InChIKey of N,N-dimethyl-2-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is KRYWZGZZZFOBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-8-12-9(7-17-8)6-11-13-10(14-16-11)4-5-15(2)3/h7H,4-6H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine?
N,N-dimethyl-2-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 252.34 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 72889899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).