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

C13H10Cl2N4OS — CID 79398209

IUPAC4-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1nsc(N)c1-c1nc(Cc2ccc(Cl)cc2Cl)no1
InChIInChI=1S/C13H10Cl2N4OS/c1-6-11(12(16)21-19-6)13-17-10(18-20-13)4-7-2-3-8(14)5-9(7)15/h2-3,5H,4,16H2,1H3
InChIKeyFHPYDQZJOMBXFN-UHFFFAOYSA-N
MW341.22 g/mol
LogP3.98
Rot. Bonds3

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

4-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 79398209) has the molecular formula C13H10Cl2N4OS and a molecular weight of 341.22 g/mol. Its IUPAC name is 4-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name4-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID79398209
Molecular FormulaC13H10Cl2N4OS
Molecular Weight341.22 g/mol
Exact Mass340.00
IUPAC Name4-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1nsc(N)c1-c1nc(Cc2ccc(Cl)cc2Cl)no1
InChIInChI=1S/C13H10Cl2N4OS/c1-6-11(12(16)21-19-6)13-17-10(18-20-13)4-7-2-3-8(14)5-9(7)15/h2-3,5H,4,16H2,1H3
InChIKeyFHPYDQZJOMBXFN-UHFFFAOYSA-N
XLogP3.98
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of 4-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine (CID 79398209) is 4-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for 4-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for 4-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine is Cc1nsc(N)c1-c1nc(Cc2ccc(Cl)cc2Cl)no1.
What is the InChIKey of 4-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is FHPYDQZJOMBXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4OS/c1-6-11(12(16)21-19-6)13-17-10(18-20-13)4-7-2-3-8(14)5-9(7)15/h2-3,5H,4,16H2,1H3.
What are the key properties of 4-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
4-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 341.22 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 79398209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).