4-[2-[2-(2,3-dimethylphenyl)ethylamino]-1,3-thiazol-4-yl]-1,2,5-oxadiazol-3-amine

C15H17N5OS — CID 143009009

IUPAC4-[2-[2-(2,3-dimethylphenyl)ethylamino]-1,3-thiazol-4-yl]-1,2,5-oxadiazol-3-amine
SMILESCc1cccc(CCNc2nc(-c3nonc3N)cs2)c1C
InChIInChI=1S/C15H17N5OS/c1-9-4-3-5-11(10(9)2)6-7-17-15-18-12(8-22-15)13-14(16)20-21-19-13/h3-5,8H,6-7H2,1-2H3,(H2,16,20)(H,17,18)
InChIKeyAYHNLDXSLRIVIK-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.05
Rot. Bonds5

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

4-[2-[2-(2,3-dimethylphenyl)ethylamino]-1,3-thiazol-4-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 143009009) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-[2-[2-(2,3-dimethylphenyl)ethylamino]-1,3-thiazol-4-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[2-[2-(2,3-dimethylphenyl)ethylamino]-1,3-thiazol-4-yl]-1,2,5-oxadiazol-3-amine
PubChem CID143009009
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name4-[2-[2-(2,3-dimethylphenyl)ethylamino]-1,3-thiazol-4-yl]-1,2,5-oxadiazol-3-amine
SMILESCc1cccc(CCNc2nc(-c3nonc3N)cs2)c1C
InChIInChI=1S/C15H17N5OS/c1-9-4-3-5-11(10(9)2)6-7-17-15-18-12(8-22-15)13-14(16)20-21-19-13/h3-5,8H,6-7H2,1-2H3,(H2,16,20)(H,17,18)
InChIKeyAYHNLDXSLRIVIK-UHFFFAOYSA-N
XLogP3.05
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2,3-dimethylphenyl)ethylamino]-1,3-thiazol-4-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[2-[2-(2,3-dimethylphenyl)ethylamino]-1,3-thiazol-4-yl]-1,2,5-oxadiazol-3-amine (CID 143009009) is 4-[2-[2-(2,3-dimethylphenyl)ethylamino]-1,3-thiazol-4-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[2-[2-(2,3-dimethylphenyl)ethylamino]-1,3-thiazol-4-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[2-[2-(2,3-dimethylphenyl)ethylamino]-1,3-thiazol-4-yl]-1,2,5-oxadiazol-3-amine is Cc1cccc(CCNc2nc(-c3nonc3N)cs2)c1C.
What is the InChIKey of 4-[2-[2-(2,3-dimethylphenyl)ethylamino]-1,3-thiazol-4-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is AYHNLDXSLRIVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-9-4-3-5-11(10(9)2)6-7-17-15-18-12(8-22-15)13-14(16)20-21-19-13/h3-5,8H,6-7H2,1-2H3,(H2,16,20)(H,17,18).
What are the key properties of 4-[2-[2-(2,3-dimethylphenyl)ethylamino]-1,3-thiazol-4-yl]-1,2,5-oxadiazol-3-amine?
4-[2-[2-(2,3-dimethylphenyl)ethylamino]-1,3-thiazol-4-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 315.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2,3-dimethylphenyl)ethylamino]-1,3-thiazol-4-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 143009009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).