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

C13H20N4OS — CID 75521465

IUPACN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1csc(C(C)NC(C)c2nc(C(C)C)no2)n1
InChIInChI=1S/C13H20N4OS/c1-7(2)11-16-12(18-17-11)9(4)15-10(5)13-14-8(3)6-19-13/h6-7,9-10,15H,1-5H3
InChIKeyIGMDQRPFARHADG-UHFFFAOYSA-N
MW280.40 g/mol
LogP3.37
Rot. Bonds5

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

N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 75521465) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID75521465
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC NameN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1csc(C(C)NC(C)c2nc(C(C)C)no2)n1
InChIInChI=1S/C13H20N4OS/c1-7(2)11-16-12(18-17-11)9(4)15-10(5)13-14-8(3)6-19-13/h6-7,9-10,15H,1-5H3
InChIKeyIGMDQRPFARHADG-UHFFFAOYSA-N
XLogP3.37
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine (CID 75521465) is N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine is Cc1csc(C(C)NC(C)c2nc(C(C)C)no2)n1.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is IGMDQRPFARHADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-7(2)11-16-12(18-17-11)9(4)15-10(5)13-14-8(3)6-19-13/h6-7,9-10,15H,1-5H3.
What are the key properties of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 280.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 75521465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).