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

C11H16N4OS — CID 114031386

IUPACN-propan-2-yl-3-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCC(C)NCCCc1nnc(-c2cncs2)o1
InChIInChI=1S/C11H16N4OS/c1-8(2)13-5-3-4-10-14-15-11(16-10)9-6-12-7-17-9/h6-8,13H,3-5H2,1-2H3
InChIKeyQPGXGPLBASCHMH-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.12
Rot. Bonds6

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

N-propan-2-yl-3-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 114031386) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is N-propan-2-yl-3-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID114031386
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC NameN-propan-2-yl-3-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCC(C)NCCCc1nnc(-c2cncs2)o1
InChIInChI=1S/C11H16N4OS/c1-8(2)13-5-3-4-10-14-15-11(16-10)9-6-12-7-17-9/h6-8,13H,3-5H2,1-2H3
InChIKeyQPGXGPLBASCHMH-UHFFFAOYSA-N
XLogP2.12
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62278623
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138740
4-[5-[3-(propan-2-ylamino)propyl]-1,3,4-oxadiazol-2-yl]benzonitrile
CID 62136931
3-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 79206312
3-[5-(5-bromothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 114021771
3-[5-(2-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 81477223
3-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 79084387
3-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65207376
3-[5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 63211515
6-[5-[3-(propan-2-ylamino)propyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile
CID 63748672
3-[5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 107993066
3-(5-pentyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138927

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of N-propan-2-yl-3-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 114031386) is N-propan-2-yl-3-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-propan-2-yl-3-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CC(C)NCCCc1nnc(-c2cncs2)o1.
What is the InChIKey of N-propan-2-yl-3-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is QPGXGPLBASCHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-8(2)13-5-3-4-10-14-15-11(16-10)9-6-12-7-17-9/h6-8,13H,3-5H2,1-2H3.
What are the key properties of N-propan-2-yl-3-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
N-propan-2-yl-3-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 252.34 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 114031386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).