4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine

C14H13BrN4OS — CID 80655602

IUPAC4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCCc2nc(-c3ccc(Br)cc3)no2)cs1
InChIInChI=1S/C14H13BrN4OS/c15-10-6-4-9(5-7-10)13-18-12(20-19-13)3-1-2-11-8-21-14(16)17-11/h4-8H,1-3H2,(H2,16,17)
InChIKeyMRHRXECBKNYUFM-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.71
Rot. Bonds5

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

4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine (PubChem CID 80655602) has the molecular formula C14H13BrN4OS and a molecular weight of 365.26 g/mol. Its IUPAC name is 4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
PubChem CID80655602
Molecular FormulaC14H13BrN4OS
Molecular Weight365.26 g/mol
Exact Mass364.00
IUPAC Name4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCCc2nc(-c3ccc(Br)cc3)no2)cs1
InChIInChI=1S/C14H13BrN4OS/c15-10-6-4-9(5-7-10)13-18-12(20-19-13)3-1-2-11-8-21-14(16)17-11/h4-8H,1-3H2,(H2,16,17)
InChIKeyMRHRXECBKNYUFM-UHFFFAOYSA-N
XLogP3.71
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 80656603
4-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine
CID 80655454
4-[3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 104788856
4-[3-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 80656293
4-[3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 80655651
4-[3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 116632721
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-phenyl-1,2,4-oxadiazol-5-amine
CID 131903577
4-[3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine
CID 80656600
4-[3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 80655552
5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790693
4-[3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 80656471
4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525067

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine (CID 80655602) is 4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine is Nc1nc(CCCc2nc(-c3ccc(Br)cc3)no2)cs1.
What is the InChIKey of 4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
The InChIKey is MRHRXECBKNYUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4OS/c15-10-6-4-9(5-7-10)13-18-12(20-19-13)3-1-2-11-8-21-14(16)17-11/h4-8H,1-3H2,(H2,16,17).
What are the key properties of 4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine has a molecular weight of 365.26 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 80655602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).