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

C19H22N4OS — CID 126766632

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(-c2ccccc2)sc1C(C)N(C)Cc1noc(C2CC2)n1
InChIInChI=1S/C19H22N4OS/c1-12-17(25-19(20-12)15-7-5-4-6-8-15)13(2)23(3)11-16-21-18(24-22-16)14-9-10-14/h4-8,13-14H,9-11H2,1-3H3
InChIKeyFLJLVZGWEFATSY-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.57
Rot. Bonds6

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

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 126766632) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine
PubChem CID126766632
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(-c2ccccc2)sc1C(C)N(C)Cc1noc(C2CC2)n1
InChIInChI=1S/C19H22N4OS/c1-12-17(25-19(20-12)15-7-5-4-6-8-15)13(2)23(3)11-16-21-18(24-22-16)14-9-10-14/h4-8,13-14H,9-11H2,1-3H3
InChIKeyFLJLVZGWEFATSY-UHFFFAOYSA-N
XLogP4.57
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine (CID 126766632) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine is Cc1nc(-c2ccccc2)sc1C(C)N(C)Cc1noc(C2CC2)n1.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is FLJLVZGWEFATSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-12-17(25-19(20-12)15-7-5-4-6-8-15)13(2)23(3)11-16-21-18(24-22-16)14-9-10-14/h4-8,13-14H,9-11H2,1-3H3.
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 354.48 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 126766632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).