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

C13H10Cl2N4OS — CID 62793983

IUPAC5-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1nc(Cc2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C13H10Cl2N4OS/c1-6-11(21-13(16)17-6)12-18-10(19-20-12)5-7-2-3-8(14)9(15)4-7/h2-4H,5H2,1H3,(H2,16,17)
InChIKeyYIFQBRHDSSMDMS-UHFFFAOYSA-N
MW341.22 g/mol
LogP3.98
Rot. Bonds3

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

5-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 62793983) has the molecular formula C13H10Cl2N4OS and a molecular weight of 341.22 g/mol. Its IUPAC name is 5-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID62793983
Molecular FormulaC13H10Cl2N4OS
Molecular Weight341.22 g/mol
Exact Mass340.00
IUPAC Name5-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1nc(Cc2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C13H10Cl2N4OS/c1-6-11(21-13(16)17-6)12-18-10(19-20-12)5-7-2-3-8(14)9(15)4-7/h2-4H,5H2,1H3,(H2,16,17)
InChIKeyYIFQBRHDSSMDMS-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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Related Compounds

5-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine
CID 30029519
5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine
CID 62793825
[4-methyl-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 63630049
1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 63349689
2-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 55105697
2-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 115428079
(1R)-1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899404
3-chloro-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 62330603
5-[3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine
CID 106818781
2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 62329730
3-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 43329946
4-methyl-5-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 113454316

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine (CID 62793983) is 5-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1nc(Cc2ccc(Cl)c(Cl)c2)no1.
What is the InChIKey of 5-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is YIFQBRHDSSMDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4OS/c1-6-11(21-13(16)17-6)12-18-10(19-20-12)5-7-2-3-8(14)9(15)4-7/h2-4H,5H2,1H3,(H2,16,17).
What are the key properties of 5-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine?
5-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-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 5-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62793983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).