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

C9H13N5OS — CID 72919531

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NCCCc2csc(N)n2)o1
InChIInChI=1S/C9H13N5OS/c1-6-13-14-9(15-6)11-4-2-3-7-5-16-8(10)12-7/h5H,2-4H2,1H3,(H2,10,12)(H,11,14)
InChIKeyPBTYSAYGLXZVPU-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.46
Rot. Bonds5

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

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 72919531) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-methyl-1,3,4-oxadiazol-2-amine
PubChem CID72919531
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NCCCc2csc(N)n2)o1
InChIInChI=1S/C9H13N5OS/c1-6-13-14-9(15-6)11-4-2-3-7-5-16-8(10)12-7/h5H,2-4H2,1H3,(H2,10,12)(H,11,14)
InChIKeyPBTYSAYGLXZVPU-UHFFFAOYSA-N
XLogP1.46
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-methyl-1,3,4-oxadiazol-2-amine (CID 72919531) is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-methyl-1,3,4-oxadiazol-2-amine is Cc1nnc(NCCCc2csc(N)n2)o1.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is PBTYSAYGLXZVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-6-13-14-9(15-6)11-4-2-3-7-5-16-8(10)12-7/h5H,2-4H2,1H3,(H2,10,12)(H,11,14).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-methyl-1,3,4-oxadiazol-2-amine?
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 239.30 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72919531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).