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

C12H16N4OS — CID 62796502

IUPACN-[2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
SMILESCc1csc(Cc2noc(CCNC3CC3)n2)n1
InChIInChI=1S/C12H16N4OS/c1-8-7-18-12(14-8)6-10-15-11(17-16-10)4-5-13-9-2-3-9/h7,9,13H,2-6H2,1H3
InChIKeyVTEFNYXWZGOYQH-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.72
Rot. Bonds6

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

N-[2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine (PubChem CID 62796502) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
PubChem CID62796502
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-[2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
SMILESCc1csc(Cc2noc(CCNC3CC3)n2)n1
InChIInChI=1S/C12H16N4OS/c1-8-7-18-12(14-8)6-10-15-11(17-16-10)4-5-13-9-2-3-9/h7,9,13H,2-6H2,1H3
InChIKeyVTEFNYXWZGOYQH-UHFFFAOYSA-N
XLogP1.72
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine (CID 62796502) is N-[2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine is Cc1csc(Cc2noc(CCNC3CC3)n2)n1.
What is the InChIKey of N-[2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The InChIKey is VTEFNYXWZGOYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8-7-18-12(14-8)6-10-15-11(17-16-10)4-5-13-9-2-3-9/h7,9,13H,2-6H2,1H3.
What are the key properties of N-[2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
N-[2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine has a molecular weight of 264.35 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 62796502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).