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

C18H20N4OS — CID 26411429

IUPACN-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(2-phenyl-1,3-thiazol-4-yl)methanamine
SMILESCN(Cc1csc(-c2ccccc2)n1)Cc1nc(CC2CC2)no1
InChIInChI=1S/C18H20N4OS/c1-22(11-17-20-16(21-23-17)9-13-7-8-13)10-15-12-24-18(19-15)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3
InChIKeyXUUWTYNKIFNVFR-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.78
Rot. Bonds7

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

N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(2-phenyl-1,3-thiazol-4-yl)methanamine (PubChem CID 26411429) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(2-phenyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(2-phenyl-1,3-thiazol-4-yl)methanamine
PubChem CID26411429
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(2-phenyl-1,3-thiazol-4-yl)methanamine
SMILESCN(Cc1csc(-c2ccccc2)n1)Cc1nc(CC2CC2)no1
InChIInChI=1S/C18H20N4OS/c1-22(11-17-20-16(21-23-17)9-13-7-8-13)10-15-12-24-18(19-15)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3
InChIKeyXUUWTYNKIFNVFR-UHFFFAOYSA-N
XLogP3.78
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(2-phenyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(2-phenyl-1,3-thiazol-4-yl)methanamine (CID 26411429) is N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(2-phenyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(2-phenyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(2-phenyl-1,3-thiazol-4-yl)methanamine is CN(Cc1csc(-c2ccccc2)n1)Cc1nc(CC2CC2)no1.
What is the InChIKey of N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(2-phenyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is XUUWTYNKIFNVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-22(11-17-20-16(21-23-17)9-13-7-8-13)10-15-12-24-18(19-15)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3.
What are the key properties of N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(2-phenyl-1,3-thiazol-4-yl)methanamine?
N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(2-phenyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 340.45 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(2-phenyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 26411429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).