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

C13H18N4O2S — CID 118766836

IUPACN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCCC(NC(=O)Cc1nonc1C)c1nc(C)c(C)s1
InChIInChI=1S/C13H18N4O2S/c1-5-10(13-14-7(2)9(4)20-13)15-12(18)6-11-8(3)16-19-17-11/h10H,5-6H2,1-4H3,(H,15,18)
InChIKeyNFGFAVBOEFQPSI-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.26
Rot. Bonds5

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

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 118766836) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID118766836
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCCC(NC(=O)Cc1nonc1C)c1nc(C)c(C)s1
InChIInChI=1S/C13H18N4O2S/c1-5-10(13-14-7(2)9(4)20-13)15-12(18)6-11-8(3)16-19-17-11/h10H,5-6H2,1-4H3,(H,15,18)
InChIKeyNFGFAVBOEFQPSI-UHFFFAOYSA-N
XLogP2.26
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide
CID 95509635
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 91777669
2-amino-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118763339
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,3-benzodioxole-5-carboxamide
CID 91766476
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethylpyrimidine-5-carboxamide
CID 72930807
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 95226256
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(1S)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
CID 125171302
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-methylimidazole-4-carboxamide
CID 118775956
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-fluoropyridine-3-carboxamide
CID 118765250
1-butan-2-yl-3-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]urea
CID 110628697
3-chloro-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 125177974
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110628703

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 118766836) is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is CCC(NC(=O)Cc1nonc1C)c1nc(C)c(C)s1.
What is the InChIKey of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is NFGFAVBOEFQPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-5-10(13-14-7(2)9(4)20-13)15-12(18)6-11-8(3)16-19-17-11/h10H,5-6H2,1-4H3,(H,15,18).
What are the key properties of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 294.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 118766836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).