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

C11H16N4OS — CID 81073324

IUPAC2-methyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCc1nc(Cc2noc(CC(C)CN)n2)cs1
InChIInChI=1S/C11H16N4OS/c1-7(5-12)3-11-14-10(15-16-11)4-9-6-17-8(2)13-9/h6-7H,3-5,12H2,1-2H3
InChIKeyOGNCLZTZOPIFMQ-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.56
Rot. Bonds5

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

2-methyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 81073324) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-methyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID81073324
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name2-methyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCc1nc(Cc2noc(CC(C)CN)n2)cs1
InChIInChI=1S/C11H16N4OS/c1-7(5-12)3-11-14-10(15-16-11)4-9-6-17-8(2)13-9/h6-7H,3-5,12H2,1-2H3
InChIKeyOGNCLZTZOPIFMQ-UHFFFAOYSA-N
XLogP1.56
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 2-methyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 81073324) is 2-methyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine is Cc1nc(Cc2noc(CC(C)CN)n2)cs1.
What is the InChIKey of 2-methyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is OGNCLZTZOPIFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-7(5-12)3-11-14-10(15-16-11)4-9-6-17-8(2)13-9/h6-7H,3-5,12H2,1-2H3.
What are the key properties of 2-methyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
2-methyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 252.34 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 81073324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).