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

C18H20N4O2S — CID 125171592

IUPAC3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
SMILESCC[C@@H](NC(=O)c1cccc(-c2nc(C)c(C)s2)c1)c1nc(C)no1
InChIInChI=1S/C18H20N4O2S/c1-5-15(17-20-12(4)22-24-17)21-16(23)13-7-6-8-14(9-13)18-19-10(2)11(3)25-18/h6-9,15H,5H2,1-4H3,(H,21,23)/t15-/m1/s1
InChIKeyNOZXDSXLHMIRJW-OAHLLOKOSA-N
MW356.45 g/mol
LogP4.00
Rot. Bonds5

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

3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide (PubChem CID 125171592) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
PubChem CID125171592
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
SMILESCC[C@@H](NC(=O)c1cccc(-c2nc(C)c(C)s2)c1)c1nc(C)no1
InChIInChI=1S/C18H20N4O2S/c1-5-15(17-20-12(4)22-24-17)21-16(23)13-7-6-8-14(9-13)18-19-10(2)11(3)25-18/h6-9,15H,5H2,1-4H3,(H,21,23)/t15-/m1/s1
InChIKeyNOZXDSXLHMIRJW-OAHLLOKOSA-N
XLogP4.00
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-acetyl-2-pyridinyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 125448468
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 110372204
4-(4-hydroxy-3-methoxyphenyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 126448858
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(3-methylsulfanylpropyl)benzamide
CID 118788883
4-[2-hydroxyethyl(methyl)amino]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 91760035
4-ethyl-2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazole-5-carboxamide
CID 118774250
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 125156213
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 91769195
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,3-benzodioxole-5-carboxamide
CID 91766476
1-[3-(dimethylsulfamoylamino)phenyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 72922256
3-(aminomethyl)-N-[1-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide
CID 22949329
N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 52800488

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide (CID 125171592) is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide.
What is the SMILES notation for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The canonical SMILES for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide is CC[C@@H](NC(=O)c1cccc(-c2nc(C)c(C)s2)c1)c1nc(C)no1.
What is the InChIKey of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The InChIKey is NOZXDSXLHMIRJW-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-5-15(17-20-12(4)22-24-17)21-16(23)13-7-6-8-14(9-13)18-19-10(2)11(3)25-18/h6-9,15H,5H2,1-4H3,(H,21,23)/t15-/m1/s1.
What are the key properties of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide has a molecular weight of 356.45 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide is sourced from PubChem (CID 125171592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).