5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-propan-2-yl-1,3-thiazol-2-amine

C14H14N4OS — CID 23010437

IUPAC5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N)sc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C14H14N4OS/c1-8(2)10-11(20-14(15)16-10)13-17-12(18-19-13)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,15,16)
InChIKeyKPYGCRUQYWOEBV-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.57
Rot. Bonds3

About 5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-propan-2-yl-1,3-thiazol-2-amine

5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 23010437) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID23010437
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N)sc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C14H14N4OS/c1-8(2)10-11(20-14(15)16-10)13-17-12(18-19-13)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,15,16)
InChIKeyKPYGCRUQYWOEBV-UHFFFAOYSA-N
XLogP3.57
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-propan-2-yl-1,3-thiazol-2-amine (CID 23010437) is 5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1nc(N)sc1-c1nc(-c2ccccc2)no1.
What is the InChIKey of 5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is KPYGCRUQYWOEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-8(2)10-11(20-14(15)16-10)13-17-12(18-19-13)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,15,16).
What are the key properties of 5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-propan-2-yl-1,3-thiazol-2-amine?
5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 286.36 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 23010437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).